1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea

Systemtic Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-p-anisyl-thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O2S/c1-15-20(16(2)27(26-15)18-7-5-4-6-8-18)13-21(28)24-25-22(30)23-14-17-9-11-19(29-3)12-10-17/h4-12H,13-14H2,1-3H3,(H,24,28)(H2,23,25,30)