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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]ethanamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]acetamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]acetamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]acetamide Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H12ClN3O2S/c1-9(21)18-16(23)19-10-6-7-12(17)11(8-10)15-20-13-4-2-3-5-14(13)22-15/h2-8H,1H3,(H2,18,19,21,23)