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

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

CCC1=CC(=C(S1)NC(=S)NCCCN2C=C(C=N2)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCN2C=C(C=N2)C)C(=O)OC

InChI

InChI=1S/C16H22N4O2S2/c1-4-12-8-13(15(21)22-3)14(24-12)19-16(23)17-6-5-7-20-10-11(2)9-18-20/h8-10H,4-7H2,1-3H3,(H2,17,19,23)