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

Systemtic Name: ethyl 3-[(phenylmethyl)-[(4-phenylphenyl)carbonylcarbamothioyl]amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-phenylbenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-phenylbenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(4-phenylbenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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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)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O3S/c1-2-31-24(29)17-18-28(19-20-9-5-3-6-10-20)26(32)27-25(30)23-15-13-22(14-16-23)21-11-7-4-8-12-21/h3-16H,2,17-19H2,1H3,(H,27,30,32)