1-tert-butyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]thiourea Openeye Name: 1-tert-butyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]thiourea CAS Name: 1-tert-butyl-3-[[3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]thiourea Traditional Name: 1-tert-butyl-3-[3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]thiourea Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)NNC(=S)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)NNC(=S)NC(C)(C)C

InChI

InChI=1S/C20H29N5O2S/c1-13-17(10-11-18(26)22-23-19(28)21-20(3,4)5)14(2)25(24-13)15-8-7-9-16(12-15)27-6/h7-9,12H,10-11H2,1-6H3,(H,22,26)(H2,21,23,28)