piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanethione hydrochloride

Systemtic Name: piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanethione hydrochloride Openeye Name: [3-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]phenyl]-(1-piperidyl)methanethione hydrochloride CAS Name: 1-piperidinyl-[3-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]phenyl]methanethione hydrochloride IUPAC Name: piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanethione hydrochloride Traditional Name: [3-[[4-(2-isopropoxyphenyl)piperazino]methyl]phenyl]-piperidino-methanethione hydrochloride Formula: C26H36ClN3OS MolecularWeight: 474.10154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C(=S)N4CCCCC4.Cl

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C(=S)N4CCCCC4.Cl

InChI

InChI=1S/C26H35N3OS.ClH/c1-21(2)30-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(31)29-13-6-3-7-14-29;/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3;1H