methyl 5-ethyl-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]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)NCC2=CN(N=C2C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2C)CC)C(=O)OC

InChI

InChI=1S/C16H22N4O2S2/c1-5-12-7-13(15(21)22-4)14(24-12)18-16(23)17-8-11-9-20(6-2)19-10(11)3/h7,9H,5-6,8H2,1-4H3,(H2,17,18,23)