2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide Openeye Name: 2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide CAS Name: 2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide Traditional Name: 2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-N-homoveratryl-pyrazolidine-1-carbothioamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=S)NCCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=S)NCCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C23H33N5O3S/c1-23(2,3)20-15-17(26(4)25-20)21(29)27-12-7-13-28(27)22(32)24-11-10-16-8-9-18(30-5)19(14-16)31-6/h8-9,14-15H,7,10-13H2,1-6H3,(H,24,32)