N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H18ClN3O3S/c1-14-7-8-15(22-25-19-12-16(24)9-10-20(19)30-22)11-18(14)26-23(31)27-21(28)13-29-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H2,26,27,28,31)