methyl 4-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]butanoate Traditional Name: 4-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C12H20N4O2S/c1-8-11(9(2)16(3)15-8)14-12(19)13-7-5-6-10(17)18-4/h5-7H2,1-4H3,(H2,13,14,19)