2-(1,3-benzoxazol-2-yl)-5-[(3-bromophenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-5-[(3-bromophenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2-(1,3-benzoxazol-2-yl)-5-[(3-bromobenzoyl)carbamothioylamino]phenolate CAS Name: 2-(1,3-benzoxazol-2-yl)-5-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(1,3-benzoxazol-2-yl)-5-[(3-bromobenzoyl)carbamothioylamino]phenolate Traditional Name: 2-(1,3-benzoxazol-2-yl)-5-[(3-bromobenzoyl)thiocarbamoylamino]phenolate Formula: C21H13BrN3O3S- MolecularWeight: 467.31522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)[O-]

InChI

InChI=1S/C21H14BrN3O3S/c22-13-5-3-4-12(10-13)19(27)25-21(29)23-14-8-9-15(17(26)11-14)20-24-16-6-1-2-7-18(16)28-20/h1-11,26H,(H2,23,25,27,29)/p-1