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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]cinchoninamide Formula: C30H21N3O4S MolecularWeight: 519.57044

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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=CC=C(C=C6)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H21N3O4S/c1-17-28(18-7-10-20(35-2)11-8-18)23(15-31)30(38-17)33-29(34)22-14-25(32-24-6-4-3-5-21(22)24)19-9-12-26-27(13-19)37-16-36-26/h3-14H,16H2,1-2H3,(H,33,34)