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

Systemtic Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4O3)C=C2

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4O3)C=C2

InChI

InChI=1S/C22H17N3O4S/c26-18-12-14(10-11-16(18)21-24-17-8-4-5-9-19(17)29-21)23-22(30)25-20(27)13-28-15-6-2-1-3-7-15/h1-12,24H,13H2,(H2,23,25,27,30)