N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)cinchoninamide Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C29H27N3OS/c1-18(2)15-19-11-13-20(14-12-19)26-16-23(21-7-3-5-9-25(21)31-26)28(33)32-29-24(17-30)22-8-4-6-10-27(22)34-29/h3,5,7,9,11-14,16,18H,4,6,8,10,15H2,1-2H3,(H,32,33)