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

Systemtic Name: 8-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3,4-dimethoxyphenyl)cinchoninamide Formula: C27H22ClN3O3S MolecularWeight: 503.99988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)OC

InChI

InChI=1S/C27H22ClN3O3S/c1-33-22-11-10-15(12-23(22)34-2)21-13-18(17-7-5-8-20(28)25(17)30-21)26(32)31-27-19(14-29)16-6-3-4-9-24(16)35-27/h5,7-8,10-13H,3-4,6,9H2,1-2H3,(H,31,32)