methyl 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]butyric acid methyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C19H26N4O2S/c1-14-17(12-21-19(26)20-11-7-10-18(24)25-3)15(2)23(22-14)13-16-8-5-4-6-9-16/h4-6,8-9H,7,10-13H2,1-3H3,(H2,20,21,26)