propan-2-yl 4-[3-(dimethylamino)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[3-(dimethylamino)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[3-(dimethylamino)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(dimethylamino)propylcarbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[3-(dimethylamino)propylthiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C15H27N5O2S MolecularWeight: 341.47218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCCN(C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCCN(C)C

InChI

InChI=1S/C15H27N5O2S/c1-6-20-10-12(13(18-20)14(21)22-11(2)3)17-15(23)16-8-7-9-19(4)5/h10-11H,6-9H2,1-5H3,(H2,16,17,23)