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

Systemtic Name: 2-(4-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(4-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methylquinoline-4-carboxamide Traditional Name: 2-(4-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-cinchoninamide Formula: C32H33N3OS MolecularWeight: 507.68892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

InChI

InChI=1S/C32H33N3OS/c1-4-6-7-22-9-12-23(13-10-22)29-18-26(25-16-20(3)8-15-28(25)34-29)31(36)35-32-27(19-33)24-14-11-21(5-2)17-30(24)37-32/h8-10,12-13,15-16,18,21H,4-7,11,14,17H2,1-3H3,(H,35,36)