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

Systemtic Name: 1-[[3-(4-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[[3-(4-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[1-benzyl-3-(p-tolyl)pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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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)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-15(2)23-22(29)25-24-21(28)19-14-27(13-17-7-5-4-6-8-17)26-20(19)18-11-9-16(3)10-12-18/h4-12,14-15H,13H2,1-3H3,(H,24,28)(H2,23,25,29)