2-[(3-ethoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[(3-ethoxyphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[(3-ethoxybenzoyl)carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[(3-ethoxybenzoyl)carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[(3-ethoxybenzoyl)thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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