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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(6-methylpyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(6-methyl-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(6-methyl-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(6-methylpyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(6-methyl-2-pyridyl)piperazine-1-carbothioamide Formula: C18H20N4O2S MolecularWeight: 356.442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=CC=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N4O2S/c1-13-3-2-4-17(19-13)21-7-9-22(10-8-21)18(25)20-14-5-6-15-16(11-14)24-12-23-15/h2-6,11H,7-10,12H2,1H3,(H,20,25)