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

Systemtic Name: ethyl 3-[(3-nitrophenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(3-nitrobenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(3-nitrobenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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