1-(2-ethyl-6-methyl-phenyl)-3-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[(1-benzylpyrazole-4-carbonyl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5OS/c1-3-17-11-7-8-15(2)19(17)23-21(28)25-24-20(27)18-12-22-26(14-18)13-16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3,(H,24,27)(H2,23,25,28)