(4-piperidin-1-ylcarbothioylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-piperidin-1-ylcarbothioylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(piperidine-1-carbothioyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(piperidine-1-carbothioyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O4S/c20-16-9-6-14(12-17(16)22(24)25)19(23)26-15-7-4-13(5-8-15)18(27)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2