2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]-4-nitro-phenolate Formula: C18H16N3O6S- MolecularWeight: 402.40114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)/p-1/b8-4+