Chemical ID: 4340904

CCOc1ccc(cc1)NC(=S)NCc2ccccc2
Chemical ID:
4340904
Name [?]:
3-benzyl-1-(4-ethoxyphenyl)-thiourea
SMILES [?]:
CCOc1ccc(cc1)NC(=S)NCc2ccccc2
InChi [?]:
InChI=1/C16H18N2OS/c1-2-19-15-10-8-14(9-11-15)18-16(20)17-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,16,20,6,8,5,9,14,15,7,4,11,13,10,3,12/E:(4,5)(6,7)(8,9)(10,11)/rA:20nCCOCCCCCCNCSNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.091
Area:503.146
Solvation:-2.48761
Coulombic:-33.9019
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.393
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.74
LogP (Chemaxon):3.95

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