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

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)cinchoninamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C28H27N3O4S/c1-15-8-10-18-24(12-15)36-28(25(18)26(29)32)31-27(33)19-14-21(30-20-7-5-4-6-17(19)20)16-9-11-22(34-2)23(13-16)35-3/h4-7,9,11,13-15H,8,10,12H2,1-3H3,(H2,29,32)(H,31,33)