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

Systemtic Name: methyl 5-methyl-2-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-(4-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(4-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[3-(4-methylpyrazol-1-yl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCCN2C=C(C=N2)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCCN2C=C(C=N2)C)C(=O)OC

InChI

InChI=1S/C15H20N4O2S2/c1-10-8-17-19(9-10)6-4-5-16-15(22)18-13-12(14(20)21-3)7-11(2)23-13/h7-9H,4-6H2,1-3H3,(H2,16,18,22)