2-[(4-ethoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[(4-ethoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[(4-ethoxybenzoyl)carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[(4-ethoxybenzoyl)carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-ethoxybenzoyl)thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-3-32-21-15-13-20(14-16-21)24(30)28-26(33)29(2)23-12-8-7-11-22(23)25(31)27-18-17-19-9-5-4-6-10-19/h4-16H,3,17-18H2,1-2H3,(H,27,31)(H,28,30,33)