N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(2-phenyl-4-quinolinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C33H26N4O3S MolecularWeight: 558.64954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C33H26N4O3S/c1-20(2)39-24-15-12-22(13-16-24)31(38)37-33(41)34-23-14-17-30-29(18-23)36-32(40-30)26-19-28(21-8-4-3-5-9-21)35-27-11-7-6-10-25(26)27/h3-20H,1-2H3,(H2,34,37,38,41)