ethyl 3-[(3-chlorophenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(3-chlorophenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-chlorobenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3-chlorobenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3-chlorobenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-2-26-18(24)11-12-23(14-15-7-4-3-5-8-15)20(27)22-19(25)16-9-6-10-17(21)13-16/h3-10,13H,2,11-12,14H2,1H3,(H,22,25,27)