N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-cinchoninamide Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OC)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OC)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C28H25N3O2S/c1-16-7-6-9-21-24(17(2)26(30-25(16)21)18-11-13-19(33-3)14-12-18)27(32)31-28-22(15-29)20-8-4-5-10-23(20)34-28/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,31,32)