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

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C22H16ClN3O2S2 MolecularWeight: 453.96434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O2S2/c23-15-7-11-17(12-8-15)30-13-20(27)26-22(29)24-16-9-5-14(6-10-16)21-25-18-3-1-2-4-19(18)28-21/h1-12H,13H2,(H2,24,26,27,29)