N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C22H24N4O4S MolecularWeight: 440.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H24N4O4S/c1-13-19(14(2)26(25-13)16-9-7-6-8-10-16)23-22(31)24-21(27)15-11-17(28-3)20(30-5)18(12-15)29-4/h6-12H,1-5H3,(H2,23,24,27,31)