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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloranyl-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(2,5-dimethyl-3-thienyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(2,5-dimethyl-3-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(2,5-dimethyl-3-thienyl)cinchoninamide Formula: C27H26ClN3O2S2 MolecularWeight: 524.09724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=C(SC(=C5)C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=C(SC(=C5)C)C

InChI

InChI=1S/C27H26ClN3O2S2/c1-4-15-5-7-17-23(10-15)35-27(24(17)25(29)32)31-26(33)20-12-22(18-9-13(2)34-14(18)3)30-21-8-6-16(28)11-19(20)21/h6,8-9,11-12,15H,4-5,7,10H2,1-3H3,(H2,29,32)(H,31,33)