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

Systemtic Name: N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N3O4S/c1-2-5-16-8-10-19-25(12-16)37-29(26(19)27(30)33)32-28(34)20-14-22(31-21-7-4-3-6-18(20)21)17-9-11-23-24(13-17)36-15-35-23/h3-4,6-7,9,11,13-14,16H,2,5,8,10,12,15H2,1H3,(H2,30,33)(H,32,34)