4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-piperonyl-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H27N3O2S/c1-15-10-17(3)19(11-16(15)2)23-22(28)25-8-6-24(7-9-25)13-18-4-5-20-21(12-18)27-14-26-20/h4-5,10-12H,6-9,13-14H2,1-3H3,(H,23,28)