(2-piperidin-1-ylcarbothioylphenyl) 4-nitrobenzoate

Systemtic Name: (2-piperidin-1-ylcarbothioylphenyl) 4-nitrobenzoate Openeye Name: [2-(piperidine-1-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-(piperidine-1-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=S)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O4S/c22-19(14-8-10-15(11-9-14)21(23)24)25-17-7-3-2-6-16(17)18(26)20-12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-13H2