2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thienyl]cinchoninamide Formula: C29H17Cl2N3O3S MolecularWeight: 558.43458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C#N)C6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C29H17Cl2N3O3S/c1-15-27(19-8-7-17(30)11-22(19)31)21(13-32)29(38-15)34-28(35)20-12-24(33-23-5-3-2-4-18(20)23)16-6-9-25-26(10-16)37-14-36-25/h2-12H,14H2,1H3,(H,34,35)