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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4O3)Cl

InChI

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