ethyl 3-[(4-methoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-methoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-methoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-methoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl(p-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=C(C=C2)OC

Isomeric SMILES

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

InChI

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