ethyl 3-[(2-methoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(2-methoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(2-methoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(2-methoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl(o-anisoylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H24N2O4S/c1-3-27-19(24)13-14-23(15-16-9-5-4-6-10-16)21(28)22-20(25)17-11-7-8-12-18(17)26-2/h4-12H,3,13-15H2,1-2H3,(H,22,25,28)