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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-butan-2-ylphenyl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(4-sec-butylphenyl)cinchoninamide Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C30H31N3O2S/c1-4-17(2)19-12-14-20(15-13-19)24-16-23(21-10-7-8-18(3)27(21)32-24)29(35)33-30-26(28(31)34)22-9-5-6-11-25(22)36-30/h7-8,10,12-17H,4-6,9,11H2,1-3H3,(H2,31,34)(H,33,35)