3-[[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]carbamothioylamino]benzoate Openeye Name: 3-[[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyleneamino]carbamothioylamino]benzoate CAS Name: 3-[[[(2Z)-2-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]carbamothioylamino]benzoate Traditional Name: 3-[[(Z)-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]amino]thiocarbamoylamino]benzoate Formula: C23H19N4O6S- MolecularWeight: 479.48516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC(=C2)C(=O)[O-])OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=S)NC2=CC=CC(=C2)C(=O)[O-])OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O6S/c1-32-21-11-16(7-10-20(21)33-14-15-5-8-19(9-6-15)27(30)31)13-24-26-23(34)25-18-4-2-3-17(12-18)22(28)29/h2-13H,14H2,1H3,(H,28,29)(H2,25,26,34)/p-1/b24-13-