2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C6=C(S5)CCCC6)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C6=C(S5)CCCC6)C#N)C

InChI

InChI=1S/C28H23N3O3S/c1-15-9-16(2)26-19(10-15)20(12-22(30-26)17-7-8-23-24(11-17)34-14-33-23)27(32)31-28-21(13-29)18-5-3-4-6-25(18)35-28/h7-12H,3-6,14H2,1-2H3,(H,31,32)