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

Systemtic Name: N-[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C22H16BrN3O4S MolecularWeight: 498.34914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3

InChI

InChI=1S/C22H16BrN3O4S/c23-16-10-13(6-8-18(16)27)21-25-17-11-14(7-9-19(17)30-21)24-22(31)26-20(28)12-29-15-4-2-1-3-5-15/h1-11,25H,12H2,(H2,24,26,28,31)