2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-4-(3,4-dimethoxyphenyl)-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC3=NC4=CC=CC=C4N3)C#N)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC3=NC4=CC=CC=C4N3)C#N)C5=CC(=C(C=C5)OC)OC)C(=O)C1)C

InChI

InChI=1S/C28H28N4O3S/c1-28(2)12-20-26(21(33)13-28)25(16-9-10-22(34-3)23(11-16)35-4)17(14-29)27(32-20)36-15-24-30-18-7-5-6-8-19(18)31-24/h5-11,25,32H,12-13,15H2,1-4H3,(H,30,31)