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

Systemtic Name: 7-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenyl-quinoline-4-carboxamide Openeye Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-phenyl-quinoline-4-carboxamide CAS Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-phenylquinoline-4-carboxamide Traditional Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-phenyl-cinchoninamide Formula: C27H22ClN3OS MolecularWeight: 472.00108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN3OS/c1-15-21(28)13-12-19-23(16(2)24(30-25(15)19)17-8-4-3-5-9-17)26(32)31-27-20(14-29)18-10-6-7-11-22(18)33-27/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,31,32)