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

Systemtic Name: 3-chloranyl-4-methoxy-N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-methoxy-N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-chloro-4-methoxy-N-[[[2-(2-phenyl-4-quinolinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methoxy-N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-methoxy-N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C31H21ClN4O3S MolecularWeight: 565.04144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)Cl

InChI

InChI=1S/C31H21ClN4O3S/c1-38-27-13-11-19(15-23(27)32)29(37)36-31(40)33-20-12-14-28-26(16-20)35-30(39-28)22-17-25(18-7-3-2-4-8-18)34-24-10-6-5-9-21(22)24/h2-17H,1H3,(H2,33,36,37,40)