Chemical ID: 7142325

CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)N(C)C)SC2=S
Chemical ID:
7142325
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)N(C)C)SC2=S
InChi [?]:
InChI=1/C20H20N2OS2/c1-4-14-5-11-17(12-6-14)22-19(23)18(25-20(22)24)13-15-7-9-16(10-8-15)21(2)3/h5-13H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,22,2,4,8,15,19,16,18,5,7,13,3,14,17,6,12,10,24,20,9,11,25,23/E:(2,3)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCNCOCCCCCCCCNCCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s12;s9s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2OS2
All Atoms:45
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:12.5027
Area:584.372
Solvation:-2.10656
Coulombic:-26.7687
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.5
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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