(E)-3-(3,4-dimethoxyphenyl)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]acrylamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6S/c1-28-15-8-6-12(10-16(15)29-2)7-9-17(24)20-19(30)22-21-18(25)13-4-3-5-14(11-13)23(26)27/h3-11H,1-2H3,(H,21,25)(H2,20,22,24,30)/b9-7+