1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NNC(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NNC(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H21N5O3S/c1-13-18(14(2)26(25-13)16-9-5-4-6-10-16)19(27)20(28)23-24-21(30)22-15-8-7-11-17(12-15)29-3/h4-12H,1-3H3,(H,23,28)(H2,22,24,30)