2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-6-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-6-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-6-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)-6-methyl-cinchoninamide Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C(=C(S3)C)C)C#N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C(=C(S3)C)C)C#N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19N3O3S/c1-13-4-6-20-17(8-13)18(24(29)28-25-19(11-26)14(2)15(3)32-25)10-21(27-20)16-5-7-22-23(9-16)31-12-30-22/h4-10H,12H2,1-3H3,(H,28,29)