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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-cinchoninamide Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H21N3O3S/c1-15-6-8-21-18(10-15)19(12-22(29-21)16-7-9-23-24(11-16)33-14-32-23)26(31)30-27-20(13-28)17-4-2-3-5-25(17)34-27/h6-12H,2-5,14H2,1H3,(H,30,31)