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

Systemtic Name: 2-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-quinoline-4-carboxamide CAS Name: 2-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethylquinoline-4-carboxamide Traditional Name: 2-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-cinchoninamide Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC(=CC=C3)Cl)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC(=CC=C3)Cl)C)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C27H22ClN3OS/c1-15-10-11-22-20(12-15)24(16(2)25(30-22)17-6-5-7-18(28)13-17)26(32)31-27-21(14-29)19-8-3-4-9-23(19)33-27/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,31,32)