1-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-14(2)23-22(29)25-24-21(28)19-13-27(18-8-6-5-7-9-18)26-20(19)17-11-10-15(3)16(4)12-17/h5-14H,1-4H3,(H,24,28)(H2,23,25,29)