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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-2-phenyl-cinchoninamide Formula: C30H21N3O3S MolecularWeight: 503.57104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H21N3O3S/c1-18-23(16-31)30(37-28(18)14-19-11-12-26-27(13-19)36-17-35-26)33-29(34)22-15-25(20-7-3-2-4-8-20)32-24-10-6-5-9-21(22)24/h2-13,15H,14,17H2,1H3,(H,33,34)