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

Systemtic Name: 1-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-isopropyl-thiourea Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3S/c1-14(2)23-22(31)25-24-21(28)17-13-27(16-8-6-5-7-9-16)26-20(17)15-10-11-18(29-3)19(12-15)30-4/h5-14H,1-4H3,(H,24,28)(H2,23,25,31)