3-(2-methylpropylsulfanyl)-4-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-1-carbonitrile

Systemtic Name: 3-(2-methylpropylsulfanyl)-4-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-1-carbonitrile Openeye Name: 3-isobutylsulfanyl-4-morpholino-5,6,7,8-tetrahydroisoquinoline-1-carbonitrile CAS Name: 3-(2-methylpropylthio)-4-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinoline-1-carbonitrile IUPAC Name: 3-(2-methylpropylsulfanyl)-4-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-1-carbonitrile Traditional Name: 3-(isobutylthio)-4-morpholino-5,6,7,8-tetrahydroisoquinoline-1-carbonitrile Formula: C18H25N3OS MolecularWeight: 331.4756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC(=C2CCCCC2=C1N3CCOCC3)C#N

Isomeric SMILES

CC(C)CSC1=NC(=C2CCCCC2=C1N3CCOCC3)C#N

InChI

InChI=1S/C18H25N3OS/c1-13(2)12-23-18-17(21-7-9-22-10-8-21)15-6-4-3-5-14(15)16(11-19)20-18/h13H,3-10,12H2,1-2H3