ethyl 4-[(2-nitrophenyl)carbamothioyl-(phenylmethyl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(2-nitrophenyl)carbamothioyl-(phenylmethyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[benzyl-[(2-nitrophenyl)carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(2-nitroanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[benzyl-[(2-nitrophenyl)carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[benzyl-[(2-nitrophenyl)thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-2-30-22(27)24-14-12-18(13-15-24)25(16-17-8-4-3-5-9-17)21(31)23-19-10-6-7-11-20(19)26(28)29/h3-11,18H,2,12-16H2,1H3,(H,23,31)