N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[[5-(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=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

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