1-methyl-3-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-methyl-3-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-methyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-methyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCCCN3C4=CC=CC=C4NC3=O)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCCCN3C4=CC=CC=C4NC3=O)C#N

InChI

InChI=1S/C21H22N4OS/c1-14-15-7-2-3-8-16(15)17(13-22)20(23-14)27-12-6-11-25-19-10-5-4-9-18(19)24-21(25)26/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H,24,26)