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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-benzodioxol-5-yl)-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-cinchoninamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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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(=O)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(=O)N)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23N3O4S/c1-14-6-8-19-17(10-14)18(12-20(29-19)15-7-9-21-22(11-15)34-13-33-21)26(32)30-27-24(25(28)31)16-4-2-3-5-23(16)35-27/h6-12H,2-5,13H2,1H3,(H2,28,31)(H,30,32)