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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-6,8-dimethyl-cinchoninamide Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C

InChI

InChI=1S/C29H29N3O4S/c1-15-11-16(2)26-19(12-15)20(14-22(31-26)21-13-17(35-3)9-10-23(21)36-4)28(34)32-29-25(27(30)33)18-7-5-6-8-24(18)37-29/h9-14H,5-8H2,1-4H3,(H2,30,33)(H,32,34)