methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C22H26N4O2S2/c1-15-12-16(2)26(25-15)11-7-10-23-22(29)24-20-19(21(27)28-3)14-18(30-20)13-17-8-5-4-6-9-17/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3,(H2,23,24,29)