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

Systemtic Name: methyl 4-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamothioylamino]butanoate Traditional Name: 4-[(1-phenyl-2-pyrazolin-3-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O2S/c1-21-14(20)8-5-10-16-15(22)17-13-9-11-19(18-13)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H2,16,17,18,22)