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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-benzodioxol-5-yl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C6=C(S5)CCCC6)C(=O)N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C6=C(S5)CCCC6)C(=O)N)C

InChI

InChI=1S/C28H25N3O4S/c1-14-9-15(2)25-18(10-14)19(12-20(30-25)16-7-8-21-22(11-16)35-13-34-21)27(33)31-28-24(26(29)32)17-5-3-4-6-23(17)36-28/h7-12H,3-6,13H2,1-2H3,(H2,29,32)(H,31,33)