[2-[1-(4-methylphenyl)-3-piperidin-1-yl-propyl]phenyl]carbamothioic S-acid hydrochloride

Systemtic Name: [2-[1-(4-methylphenyl)-3-piperidin-1-yl-propyl]phenyl]carbamothioic S-acid hydrochloride Openeye Name: [2-[3-(1-piperidyl)-1-(p-tolyl)propyl]phenyl]carbamothioic S-acid hydrochloride CAS Name: [2-[1-(4-methylphenyl)-3-(1-piperidinyl)propyl]phenyl]carbamothioic S-acid hydrochloride IUPAC Name: [2-[1-(4-methylphenyl)-3-piperidin-1-ylpropyl]phenyl]carbamothioic S-acid hydrochloride Traditional Name: [2-[3-piperidino-1-(p-tolyl)propyl]phenyl]thiocarbamic S-acid hydrochloride Formula: C22H29ClN2OS MolecularWeight: 404.99646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCN2CCCCC2)C3=CC=CC=C3NC(=O)S.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(CCN2CCCCC2)C3=CC=CC=C3NC(=O)S.Cl

InChI

InChI=1S/C22H28N2OS.ClH/c1-17-9-11-18(12-10-17)19(13-16-24-14-5-2-6-15-24)20-7-3-4-8-21(20)23-22(25)26;/h3-4,7-12,19H,2,5-6,13-16H2,1H3,(H2,23,25,26);1H