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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-chlorophenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-chlorobenzoyl)carbamothioylamino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-chlorobenzoyl)carbamothioylamino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-chlorobenzoyl)thiocarbamoylamino]phenolate Formula: C21H13ClN3O2S2- MolecularWeight: 438.92982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C21H14ClN3O2S2/c22-13-7-5-12(6-8-13)19(27)25-21(28)23-14-9-10-17(26)15(11-14)20-24-16-3-1-2-4-18(16)29-20/h1-11,26H,(H2,23,25,27,28)/p-1