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

Systemtic Name: ethyl 3-[(3-methylphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-methylbenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3-methylbenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl(m-toluoylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-3-26-19(24)12-13-23(15-17-9-5-4-6-10-17)21(27)22-20(25)18-11-7-8-16(2)14-18/h4-11,14H,3,12-13,15H2,1-2H3,(H,22,25,27)