3-azanyl-2-(2-morpholin-4-ylethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-(2-morpholin-4-ylethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-(2-morpholinoethyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-[2-(4-morpholinyl)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-(2-morpholin-4-ylethyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-(2-morpholinoethyl)-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(N(C2=S)CCN3CCOCC3)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(N(C2=S)CCN3CCOCC3)N)C#N

InChI

InChI=1S/C16H22N4OS/c17-11-14-12-3-1-2-4-13(12)16(22)20(15(14)18)6-5-19-7-9-21-10-8-19/h1-10,18H2