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

Systemtic Name: S-[1-(piperidin-1-ylmethyl)naphthalen-2-yl] 4-nitrobenzenecarbothioate chloride Openeye Name: S-[1-(1-piperidylmethyl)-2-naphthyl] 4-nitrobenzenecarbothioate chloride CAS Name: 4-nitrobenzenecarbothioic acid S-[1-(1-piperidinylmethyl)-2-naphthalenyl] ester chloride IUPAC Name: S-[1-(piperidin-1-ylmethyl)naphthalen-2-yl] 4-nitrobenzenecarbothioate chloride Traditional Name: 4-nitrothiobenzoic acid S-[1-(piperidinomethyl)-2-naphthyl] ester chloride Formula: C23H22ClN2O3S- MolecularWeight: 441.95038

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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-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S.ClH/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;1H/p-1