N-[[(2E)-2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[[(2E)-2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[[(2E)-2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-4-nitro-benzamide CAS Name: N-[[[(2E)-2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[[(2E)-2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-chloro-4-nitro-benzamide Formula: C21H12BrClN4O5S MolecularWeight: 547.76578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)NC(=C4C=CC(=O)C(=C4)Br)O2

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N/C(=C\4/C=CC(=O)C(=C4)Br)/O2

InChI

InChI=1S/C21H12BrClN4O5S/c22-14-7-10(1-5-17(14)28)20-25-16-8-11(2-6-18(16)32-20)24-21(33)26-19(29)13-4-3-12(27(30)31)9-15(13)23/h1-9,25H,(H2,24,26,29,33)/b20-10+