2-(1,3-benzoxazol-2-yl)-4-[(3-chlorophenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-4-[(3-chlorophenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2-(1,3-benzoxazol-2-yl)-4-[(3-chlorobenzoyl)carbamothioylamino]phenolate CAS Name: 2-(1,3-benzoxazol-2-yl)-4-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(1,3-benzoxazol-2-yl)-4-[(3-chlorobenzoyl)carbamothioylamino]phenolate Traditional Name: 2-(1,3-benzoxazol-2-yl)-4-[(3-chlorobenzoyl)thiocarbamoylamino]phenolate Formula: C21H13ClN3O3S- MolecularWeight: 422.86422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O3S/c22-13-5-3-4-12(10-13)19(27)25-21(29)23-14-8-9-17(26)15(11-14)20-24-16-6-1-2-7-18(16)28-20/h1-11,26H,(H2,23,25,27,29)/p-1