3,4-dimethoxy-N-[[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]carbamothioyl]benzamide Traditional Name: 3,4-dimethoxy-N-[[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thiocarbamoyl]benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N5O5S/c1-29-14-7-4-12(5-8-14)15-11-16(24-23-15)20(28)25-26-21(32)22-19(27)13-6-9-17(30-2)18(10-13)31-3/h4-11H,1-3H3,(H,23,24)(H,25,28)(H2,22,26,27,32)