3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[(4-heptoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 3-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C30H35N3O3S/c1-3-4-5-6-10-20-36-27-18-16-24(17-19-27)28(34)33-30(37)32-26-15-11-14-25(21-26)29(35)31-22(2)23-12-8-7-9-13-23/h7-9,11-19,21-22H,3-6,10,20H2,1-2H3,(H,31,35)(H2,32,33,34,37)