1-[[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2C)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CN(N=C1C2=CC=CC=C2C)C3=CC=CC=C3

InChI

InChI=1S/C23H27N5OS/c1-3-4-10-15-24-23(30)26-25-22(29)20-16-28(18-12-6-5-7-13-18)27-21(20)19-14-9-8-11-17(19)2/h5-9,11-14,16H,3-4,10,15H2,1-2H3,(H,25,29)(H2,24,26,30)