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

Systemtic Name: ethyl 3-[(3-ethoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-ethoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3-ethoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3-ethoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-3-27-19-12-8-11-18(15-19)21(26)23-22(29)24(14-13-20(25)28-4-2)16-17-9-6-5-7-10-17/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,23,26,29)