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

Systemtic Name: 5-[(2-bromophenyl)carbonylcarbamothioylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Openeye Name: 5-[(2-bromobenzoyl)carbamothioylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate CAS Name: 5-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate IUPAC Name: 5-[(2-bromobenzoyl)carbamothioylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Traditional Name: 5-[(2-bromobenzoyl)thiocarbamoylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Formula: C22H15BrN3O3S- MolecularWeight: 481.3418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4Br)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4Br)[O-]

InChI

InChI=1S/C22H16BrN3O3S/c1-12-6-9-19-17(10-12)25-21(29-19)15-8-7-13(11-18(15)27)24-22(30)26-20(28)14-4-2-3-5-16(14)23/h2-11,27H,1H3,(H2,24,26,28,30)/p-1