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

Systemtic Name: 2-bromanyl-N-[[(2E)-2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[[(2E)-2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[[[(2E)-2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[[(2E)-2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-nitro-benzamide Formula: C21H12Br2N4O5S MolecularWeight: 592.21678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12Br2N4O5S/c22-14-4-3-12(27(30)31)9-13(14)19(29)26-21(33)24-11-2-6-18-16(8-11)25-20(32-18)10-1-5-17(28)15(23)7-10/h1-9,25H,(H2,24,26,29,33)/b20-10+