N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O3S/c1-16-19(14-25-28(16)18-6-3-2-4-7-18)22(29)26-10-5-11-27(26)23(32)24-13-17-8-9-20-21(12-17)31-15-30-20/h2-4,6-9,12,14H,5,10-11,13,15H2,1H3,(H,24,32)