1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]amino]-3-isoamyl-thiourea Formula: C19H27N5OS2 MolecularWeight: 405.58058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C19H27N5OS2/c1-13(2)10-11-20-19(26)22-21-17(25)12-27-18-14(3)23-24(15(18)4)16-8-6-5-7-9-16/h5-9,13H,10-12H2,1-4H3,(H,21,25)(H2,20,22,26)