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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(4-methyl-1-piperidyl)-3-(2-morpholino-2-oxo-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(4-methyl-1-piperidinyl)-3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(2-keto-2-morpholino-ethyl)thio]-1-(4-methylpiperidino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H30N4O2S MolecularWeight: 414.5642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCC(=O)N4CCOCC4)C#N

Isomeric SMILES

CC1CCN(CC1)C2=C3CCCCC3=C(C(=N2)SCC(=O)N4CCOCC4)C#N

InChI

InChI=1S/C22H30N4O2S/c1-16-6-8-26(9-7-16)21-18-5-3-2-4-17(18)19(14-23)22(24-21)29-15-20(27)25-10-12-28-13-11-25/h16H,2-13,15H2,1H3