2-(1,3-benzodioxol-5-yl)-N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C30H25N3O3S MolecularWeight: 507.6028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H25N3O3S/c1-3-18(2)19-8-10-20(11-9-19)26-16-37-30(32-26)33-29(34)23-15-25(31-24-7-5-4-6-22(23)24)21-12-13-27-28(14-21)36-17-35-27/h4-16,18H,3,17H2,1-2H3,(H,32,33,34)