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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-benzodioxol-5-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-cinchoninamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23N3O4S/c1-14-5-4-7-16-18(12-19(29-24(14)16)15-9-10-20-21(11-15)34-13-33-20)26(32)30-27-23(25(28)31)17-6-2-3-8-22(17)35-27/h4-5,7,9-12H,2-3,6,8,13H2,1H3,(H2,28,31)(H,30,32)