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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-7-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-cinchoninamide Formula: C27H20ClN3O3S MolecularWeight: 501.984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC6=C(C=C5)OCO6)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC6=C(C=C5)OCO6)Cl

InChI

InChI=1S/C27H20ClN3O3S/c1-14-20(28)8-7-17-18(26(32)31-27-19(12-29)16-4-2-3-5-24(16)35-27)11-21(30-25(14)17)15-6-9-22-23(10-15)34-13-33-22/h6-11H,2-5,13H2,1H3,(H,31,32)