2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)carbamothioylamino]carbonimidoyl]phenyl]ethanoate

Systemtic Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)carbamothioylamino]carbonimidoyl]phenyl]ethanoate Openeye Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)carbamothioylamino]carbonimidoyl]phenyl]acetate CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[(2-nitroanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]acetate IUPAC Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)carbamothioylamino]carbonimidoyl]phenyl]acetate Traditional Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)thiocarbamoylamino]carbonimidoyl]phenyl]acetate Formula: C18H17N4O5S- MolecularWeight: 401.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=CC=C1[N+](=O)[O-])C2=CC(=C(C=C2)OC)CC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC=CC=C1[N+](=O)[O-])/C2=CC(=C(C=C2)OC)CC(=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-11(12-7-8-16(27-2)13(9-12)10-17(23)24)20-21-18(28)19-14-5-3-4-6-15(14)22(25)26/h3-9H,10H2,1-2H3,(H,23,24)(H2,19,21,28)/p-1/b20-11-