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

Systemtic Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-methyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-methyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-methyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-methyl-2-phenylquinoline-4-carboxamide Traditional Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-methyl-2-phenyl-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)CC(CC4)C(C)(C)C)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)C[C@H](CC4)C(C)(C)C)C#N)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3OS/c1-18-10-13-25-22(14-18)23(16-26(32-25)19-8-6-5-7-9-19)28(34)33-29-24(17-31)21-12-11-20(30(2,3)4)15-27(21)35-29/h5-10,13-14,16,20H,11-12,15H2,1-4H3,(H,33,34)/t20-/m0/s1