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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(4-ethanoylphenoxy)ethanoylamino]thiourea Openeye Name: 1-[[2-(4-acetylphenoxy)acetyl]amino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[[2-(4-acetylphenoxy)-1-oxoethyl]amino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[[2-(4-acetylphenoxy)acetyl]amino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[[2-(4-acetylphenoxy)acetyl]amino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)COC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)COC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H23N5O4S/c1-14-20(21(30)27(26(14)3)17-7-5-4-6-8-17)23-22(32)25-24-19(29)13-31-18-11-9-16(10-12-18)15(2)28/h4-12H,13H2,1-3H3,(H,24,29)(H2,23,25,32)