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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H19N3O2S/c1-15-17(22-24-19-11-5-6-13-20(19)28-22)10-7-12-18(15)25-23(29)26-21(27)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H2,25,26,27,29)