N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C23H18ClN3O2S2 MolecularWeight: 467.99092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H18ClN3O2S2/c1-14-17(22-25-19-6-2-3-8-20(19)29-22)5-4-7-18(14)26-23(30)27-21(28)13-31-16-11-9-15(24)10-12-16/h2-12H,13H2,1H3,(H2,26,27,28,30)