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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-phenylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-phenylphenyl)-2-thiazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[4-(4-phenylphenyl)thiazol-2-yl]cinchoninamide Formula: C32H21N3O3S MolecularWeight: 527.59244

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC(=CS5)C6=CC=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC(=CS5)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C32H21N3O3S/c36-31(35-32-34-28(18-39-32)22-12-10-21(11-13-22)20-6-2-1-3-7-20)25-17-27(33-26-9-5-4-8-24(25)26)23-14-15-29-30(16-23)38-19-37-29/h1-18H,19H2,(H,34,35,36)