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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-ethoxyphenyl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethoxyphenyl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-p-phenetyl-cinchoninamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C)C

InChI

InChI=1S/C29H29N3O3S/c1-4-35-19-11-9-18(10-12-19)23-15-22(21-14-16(2)13-17(3)26(21)31-23)28(34)32-29-25(27(30)33)20-7-5-6-8-24(20)36-29/h9-15H,4-8H2,1-3H3,(H2,30,33)(H,32,34)