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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,4-dimethoxyphenyl)cinchoninamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)OC

InChI

InChI=1S/C27H25N3O4S/c1-33-15-11-12-17(22(13-15)34-2)21-14-19(16-7-3-5-9-20(16)29-21)26(32)30-27-24(25(28)31)18-8-4-6-10-23(18)35-27/h3,5,7,9,11-14H,4,6,8,10H2,1-2H3,(H2,28,31)(H,30,32)