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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)-6-methyl-cinchoninamide Formula: C30H29N3O2S MolecularWeight: 495.63516

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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(=CC=C5)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H29N3O2S/c1-18(2)17-35-21-8-6-7-20(14-21)27-15-24(23-13-19(3)11-12-26(23)32-27)29(34)33-30-25(16-31)22-9-4-5-10-28(22)36-30/h6-8,11-15,18H,4-5,9-10,17H2,1-3H3,(H,33,34)