Chemical ID: 7141550

CCCCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)OC)SC2=S
Chemical ID:
7141550
Name [?]:
3-(4-butylphenyl)-5-[(3-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)OC)SC2=S
InChi [?]:
InChI=1/C21H21NO2S2/c1-3-4-6-15-9-11-17(12-10-15)22-20(23)19(26-21(22)25)14-16-7-5-8-18(13-16)24-2/h5,7-14H,3-4,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,3,18,4,17,19,6,10,7,9,21,15,5,16,8,20,14,12,25,11,13,22,26,24/E:(9,10)(11,12)/rA:26nCCCCCCCCCCNCOCCCCCCCCOCSCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s14;s11s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO2S2
All Atoms:47
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:12.3861
Area:610.472
Solvation:-2.87574
Coulombic:-28.4462
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.35
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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