N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methylpyridin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methylpyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methyl-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methyl-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methylpyridin-2-yl)piperazine-1-carbothioamide Traditional Name: 4-(6-methyl-2-pyridyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=CC=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N4O2S/c1-14-3-2-4-18(21-14)22-7-9-23(10-8-22)19(26)20-12-15-5-6-16-17(11-15)25-13-24-16/h2-6,11H,7-10,12-13H2,1H3,(H,20,26)