methyl 6-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]hexanoate Traditional Name: 6-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H26N4O3S/c1-14-17(18(25)23(22(14)2)15-10-6-4-7-11-15)21-19(27)20-13-9-5-8-12-16(24)26-3/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H2,20,21,27)