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

Systemtic Name: N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-cinchoninamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N

InChI

InChI=1S/C31H33N3O3S/c1-17-25(21-8-6-7-9-23(21)33-27(17)18-10-13-20(37-5)14-11-18)29(36)34-30-26(28(32)35)22-15-12-19(31(2,3)4)16-24(22)38-30/h6-11,13-14,19H,12,15-16H2,1-5H3,(H2,32,35)(H,34,36)