ethyl 4-[(4-nitrophenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-nitrophenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-nitrophenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(4-nitroanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-nitrophenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-nitrophenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c1-2-22-14(19)17-9-7-16(8-10-17)13(23)15-11-3-5-12(6-4-11)18(20)21/h3-6H,2,7-10H2,1H3,(H,15,23)