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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-tert-butylphenyl)-6-chloranyl-quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloroquinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-cinchoninamide Formula: C31H32ClN3O2S MolecularWeight: 546.12268

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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=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H32ClN3O2S/c1-5-17-6-12-21-26(14-17)38-30(27(21)28(33)36)35-29(37)23-16-25(34-24-13-11-20(32)15-22(23)24)18-7-9-19(10-8-18)31(2,3)4/h7-11,13,15-17H,5-6,12,14H2,1-4H3,(H2,33,36)(H,35,37)