1-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-p-cumenyl-thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-15(2)17-8-10-19(11-9-17)23-21(28)25-24-20(27)18-12-22-26(14-18)13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,24,27)(H2,23,25,28)