methyl 6-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(1-phenyl-2-pyrazolin-3-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=NN(CC1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=NN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C17H24N4O2S/c1-23-16(22)10-6-3-7-12-18-17(24)19-15-11-13-21(20-15)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H2,18,19,20,24)