(3-piperidin-1-ylcarbothioylphenyl) 3-nitrobenzoate

Systemtic Name: (3-piperidin-1-ylcarbothioylphenyl) 3-nitrobenzoate Openeye Name: [3-(piperidine-1-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(piperidine-1-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c22-19(15-7-4-8-16(12-15)21(23)24)25-17-9-5-6-14(13-17)18(26)20-10-2-1-3-11-20/h4-9,12-13H,1-3,10-11H2