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

Systemtic Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)carbamothioylamino]carbonimidoyl]phenyl]ethanoic acid Openeye Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)carbamothioylamino]carbonimidoyl]phenyl]acetic acid CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[(2-nitroanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]acetic acid IUPAC Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)carbamothioylamino]carbonimidoyl]phenyl]acetic acid Traditional Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(2-nitrophenyl)thiocarbamoylamino]carbonimidoyl]phenyl]acetic acid Formula: C18H18N4O5S MolecularWeight: 402.42432

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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)/b20-11-