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

Systemtic Name: N-[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-[(4-chlorophenyl)thio]acetamide Formula: C21H14BrClN2O3S MolecularWeight: 489.76946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)Cl

InChI

InChI=1S/C21H14BrClN2O3S/c22-16-9-12(1-7-18(16)26)21-25-17-10-14(4-8-19(17)28-21)24-20(27)11-29-15-5-2-13(23)3-6-15/h1-10,25H,11H2,(H,24,27)