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

Systemtic Name: N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide Openeye Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide CAS Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dichlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-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=CC(=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=CC(=C(C=C5)Cl)Cl

InChI

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