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

Systemtic Name: 2-(4-butan-2-ylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(4-sec-butylphenyl)cinchoninamide Formula: C30H29N3OS MolecularWeight: 479.63576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C30H29N3OS/c1-4-19(3)20-10-12-21(13-11-20)27-16-24(23-15-18(2)9-14-26(23)32-27)29(34)33-30-25(17-31)22-7-5-6-8-28(22)35-30/h9-16,19H,4-8H2,1-3H3,(H,33,34)