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

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

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

Isomeric SMILES

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

InChI

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