propan-2-yl 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(3-methoxypropylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(3-methoxypropylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C14H24N4O3S MolecularWeight: 328.43036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O3S/c1-5-18-9-11(12(17-18)13(19)21-10(2)3)16-14(22)15-7-6-8-20-4/h9-10H,5-8H2,1-4H3,(H2,15,16,22)