1-tert-butyl-3-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-[[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]-3-tert-butyl-thiourea Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NNC(=S)NC(C)(C)C)CC3=CC=CC=C3

InChI

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