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

Systemtic Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]-3-(2-thiophen-2-ylethyl)thiourea Openeye Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]amino]-3-[2-(2-thienyl)ethyl]thiourea CAS Name: 1-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]amino]-3-(2-thiophen-2-ylethyl)thiourea IUPAC Name: 1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-3-(2-thiophen-2-ylethyl)thiourea Traditional Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]amino]-3-[2-(2-thienyl)ethyl]thiourea Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NNC(=S)NCCC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NNC(=S)NCCC3=CC=CS3

InChI

InChI=1S/C20H21N5O2S2/c1-13-17(14(2)25(24-13)15-7-4-3-5-8-15)18(26)19(27)22-23-20(28)21-11-10-16-9-6-12-29-16/h3-9,12H,10-11H2,1-2H3,(H,22,27)(H2,21,23,28)