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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-butoxyphenyl)-7-chloranyl-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methylquinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-cinchoninamide Formula: C32H34ClN3O3S MolecularWeight: 576.14866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

InChI

InChI=1S/C32H34ClN3O3S/c1-4-6-14-39-21-9-7-8-20(16-21)26-17-24(22-12-13-25(33)18(3)29(22)35-26)31(38)36-32-28(30(34)37)23-11-10-19(5-2)15-27(23)40-32/h7-9,12-13,16-17,19H,4-6,10-11,14-15H2,1-3H3,(H2,34,37)(H,36,38)