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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-benzodioxol-5-yl)-6-chloranyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloroquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-cinchoninamide Formula: C26H20ClN3O4S MolecularWeight: 505.9727

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC6=C(C=C5)OCO6)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC6=C(C=C5)OCO6)C(=O)N

InChI

InChI=1S/C26H20ClN3O4S/c27-14-6-7-18-16(10-14)17(11-19(29-18)13-5-8-20-21(9-13)34-12-33-20)25(32)30-26-23(24(28)31)15-3-1-2-4-22(15)35-26/h5-11H,1-4,12H2,(H2,28,31)(H,30,32)