1-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-isopentyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]thiourea CAS Name: 1-[[3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]-3-(3-methylbutyl)thiourea Traditional Name: 1-isoamyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]thiourea Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2S/c1-14(2)11-12-22-21(29)24-23-20(27)10-9-19-15(3)25-26(16(19)4)17-7-6-8-18(13-17)28-5/h6-8,13-14H,9-12H2,1-5H3,(H,23,27)(H2,22,24,29)