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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)-6-methyl-cinchoninamide Formula: C30H29N3OS MolecularWeight: 479.63576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=C(C=C5)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=C(C=C5)CC(C)C

InChI

InChI=1S/C30H29N3OS/c1-18(2)14-20-9-11-21(12-10-20)27-16-24(23-15-19(3)8-13-26(23)32-27)29(34)33-30-25(17-31)22-6-4-5-7-28(22)35-30/h8-13,15-16,18H,4-7,14H2,1-3H3,(H,33,34)