N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(m-tolyl)quinoline-4-carboxamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(m-tolyl)cinchoninamide Formula: C30H29N3OS MolecularWeight: 479.63576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)C[C@@H](CC5)C(C)(C)C)C#N

InChI

InChI=1S/C30H29N3OS/c1-18-8-7-9-19(14-18)26-16-23(21-10-5-6-11-25(21)32-26)28(34)33-29-24(17-31)22-13-12-20(30(2,3)4)15-27(22)35-29/h5-11,14,16,20H,12-13,15H2,1-4H3,(H,33,34)/t20-/m1/s1