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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]acetamide Formula: C22H16ClN3O2S2 MolecularWeight: 453.96434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

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