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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,5-dimethoxyphenyl)-8-methyl-cinchoninamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C5=C(C=CC(=C5)OC)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C5=C(C=CC(=C5)OC)OC

InChI

InChI=1S/C28H27N3O4S/c1-15-7-6-9-17-19(14-21(30-25(15)17)20-13-16(34-2)11-12-22(20)35-3)27(33)31-28-24(26(29)32)18-8-4-5-10-23(18)36-28/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H2,29,32)(H,31,33)