methyl 4,5-dimethyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[3-(3-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-(3-methylpyrazol-1-yl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCCNC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC1=NN(C=C1)CCCNC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C16H22N4O2S2/c1-10-6-9-20(19-10)8-5-7-17-16(23)18-14-13(15(21)22-4)11(2)12(3)24-14/h6,9H,5,7-8H2,1-4H3,(H2,17,18,23)