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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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

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