ethyl 3-[(phenylmethyl)-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]amino]propanoate

Systemtic Name: ethyl 3-[(phenylmethyl)-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3,4,5-trimethoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3,4,5-trimethoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-5-31-20(26)11-12-25(15-16-9-7-6-8-10-16)23(32)24-22(27)17-13-18(28-2)21(30-4)19(14-17)29-3/h6-10,13-14H,5,11-12,15H2,1-4H3,(H,24,27,32)