ethyl 4-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-nitrophenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H17ClN4O4S MolecularWeight: 372.82718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4O4S/c1-2-23-14(20)18-7-5-17(6-8-18)13(24)16-12-9-10(19(21)22)3-4-11(12)15/h3-4,9H,2,5-8H2,1H3,(H,16,24)