1-(3-methylbutyl)-3-[[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NNC(=S)NCCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NNC(=S)NCCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27N5OS/c1-16(2)12-13-24-23(30)26-25-22(29)20-15-28(19-10-5-4-6-11-19)27-21(20)18-9-7-8-17(3)14-18/h4-11,14-16H,12-13H2,1-3H3,(H,25,29)(H2,24,26,30)