N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3O2)C1=O)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3O2)/C1=O)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4S/c1-14-11-15(24-23(31)26-20(27)13-29-16-7-3-2-4-8-16)12-17(21(14)28)22-25-18-9-5-6-10-19(18)30-22/h2-12,25H,13H2,1H3,(H2,24,26,27,31)/b22-17+