2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

InChI

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