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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-chloro-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-chlorobenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-2-chloro-benzamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O3S/c1-28-18-11-10-13(21-24-16-8-4-5-9-19(16)29-21)12-17(18)25-22(30)26-20(27)14-6-2-3-7-15(14)23/h2-12H,1H3,(H2,25,26,27,30)