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

Systemtic Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxyphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxybenzoyl)carbamothioylamino]phenolate CAS Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxybenzoyl)carbamothioylamino]phenolate Traditional Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxybenzoyl)thiocarbamoylamino]phenolate Formula: C26H24N3O4S- MolecularWeight: 474.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=C(O3)C=C(C(=C4)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)[O-])C3=NC4=C(O3)C=C(C(=C4)C)C

InChI

InChI=1S/C26H25N3O4S/c1-4-11-32-19-8-5-17(6-9-19)24(31)29-26(34)27-18-7-10-22(30)20(14-18)25-28-21-12-15(2)16(3)13-23(21)33-25/h5-10,12-14,30H,4,11H2,1-3H3,(H2,27,29,31,34)/p-1