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

Systemtic Name: N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dimethylphenyl)cinchoninamide Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N)C

InChI

InChI=1S/C31H33N3O2S/c1-17-10-11-19(14-18(17)2)25-16-23(21-8-6-7-9-24(21)33-25)29(36)34-30-27(28(32)35)22-13-12-20(31(3,4)5)15-26(22)37-30/h6-11,14,16,20H,12-13,15H2,1-5H3,(H2,32,35)(H,34,36)