1-(3-chlorophenyl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(3-chlorophenyl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(3-chlorophenyl)-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(3-chlorophenyl)-3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(3-chlorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-(3-chlorophenyl)-3-[(2-keto-2-piperidino-ethyl)thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H24ClN3OS MolecularWeight: 425.97416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H24ClN3OS/c24-17-8-6-7-16(13-17)22-19-10-3-2-9-18(19)20(14-25)23(26-22)29-15-21(28)27-11-4-1-5-12-27/h6-8,13H,1-5,9-12,15H2