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

Systemtic Name: ethyl 3-[(4-nitrophenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-nitrobenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-nitrobenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(4-nitrobenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-2-28-18(24)12-13-22(14-15-6-4-3-5-7-15)20(29)21-19(25)16-8-10-17(11-9-16)23(26)27/h3-11H,2,12-14H2,1H3,(H,21,25,29)