N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide Openeye Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide CAS Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2,4-dichlorophenyl)cinchoninamide Formula: C29H27Cl2N3O2S MolecularWeight: 552.51458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H27Cl2N3O2S/c1-29(2,3)15-8-10-19-24(12-15)37-28(25(19)26(32)35)34-27(36)20-14-23(18-11-9-16(30)13-21(18)31)33-22-7-5-4-6-17(20)22/h4-7,9,11,13-15H,8,10,12H2,1-3H3,(H2,32,35)(H,34,36)