2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]phenolate CAS Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]phenolate Traditional Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]phenolate Formula: C24H19N4O6S- MolecularWeight: 491.49586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])[O-]

InChI

InChI=1S/C24H20N4O6S/c1-12-8-17-21(9-13(12)2)34-23(26-17)16-11-15(5-6-19(16)29)25-24(35)27-22(30)14-4-7-20(33-3)18(10-14)28(31)32/h4-11,29H,1-3H3,(H2,25,27,30,35)/p-1