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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-8-methyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-2-(4-isopropylphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-p-cumenyl-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=CC(=C4C)Cl)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=C(C=C5)C(C)C

InChI

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