S-[1-(piperidin-1-ylmethyl)naphthalen-2-yl] 4-nitrobenzenecarbothioate

Systemtic Name: S-[1-(piperidin-1-ylmethyl)naphthalen-2-yl] 4-nitrobenzenecarbothioate Openeye Name: S-[1-(1-piperidylmethyl)-2-naphthyl] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[1-(1-piperidinylmethyl)-2-naphthalenyl] ester IUPAC Name: S-[1-(piperidin-1-ylmethyl)naphthalen-2-yl] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[1-(piperidinomethyl)-2-naphthyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC3=CC=CC=C32)SC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC3=CC=CC=C32)SC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O3S/c26-23(18-8-11-19(12-9-18)25(27)28)29-22-13-10-17-6-2-3-7-20(17)21(22)16-24-14-4-1-5-15-24/h2-3,6-13H,1,4-5,14-16H2