4-(1,3-benzodioxol-5-ylmethyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperazine-1-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-piperonyl-piperazine-1-carbothioamide Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N5O3S/c1-17-22(23(30)29(26(17)2)19-6-4-3-5-7-19)25-24(33)28-12-10-27(11-13-28)15-18-8-9-20-21(14-18)32-16-31-20/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,33)