1-(4-butylphenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]thiourea Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H27N5OS/c1-4-5-9-18-12-14-19(15-13-18)24-23(30)26-25-22(29)21-16(2)27-28(17(21)3)20-10-7-6-8-11-20/h6-8,10-15H,4-5,9H2,1-3H3,(H,25,29)(H2,24,26,30)