3-(3,4-dimethoxyphenyl)-N-[[(2-methylpyrazol-3-yl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[[(2-methylpyrazol-3-yl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[[(2-methylpyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[[[(2-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[[(2-methylpyrazole-3-carbonyl)amino]carbamothioyl]prop-2-enamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[[(2-methylpyrazole-3-carbonyl)amino]thiocarbamoyl]acrylamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NNC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)NNC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H19N5O4S/c1-22-12(8-9-18-22)16(24)20-21-17(27)19-15(23)7-5-11-4-6-13(25-2)14(10-11)26-3/h4-10H,1-3H3,(H,20,24)(H2,19,21,23,27)