3-[3-(dimethylamino)propylsulfanyl]-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[3-(dimethylamino)propylsulfanyl]-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[3-(dimethylamino)propylsulfanyl]-1-(4-methyl-1-piperidyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[3-(dimethylamino)propylthio]-1-(4-methyl-1-piperidinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[3-(dimethylamino)propylsulfanyl]-1-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[3-(dimethylamino)propylthio]-1-(4-methylpiperidino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H32N4S MolecularWeight: 372.57058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCCCN(C)C)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCCCN(C)C)C#N

InChI

InChI=1S/C21H32N4S/c1-16-9-12-25(13-10-16)20-18-8-5-4-7-17(18)19(15-22)21(23-20)26-14-6-11-24(2)3/h16H,4-14H2,1-3H3