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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-cinchoninamide Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H25N3O3S/c1-3-17-7-9-19-22(14-30)29(36-26(19)11-17)32-28(33)21-13-23(31-27-16(2)5-4-6-20(21)27)18-8-10-24-25(12-18)35-15-34-24/h4-6,8,10,12-13,17H,3,7,9,11,15H2,1-2H3,(H,32,33)