4-(1,3-benzodioxol-5-ylmethyl)-N-pyridin-3-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-pyridin-3-yl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-pyridyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-pyridin-3-ylpiperazine-1-carbothioamide Traditional Name: 4-piperonyl-N-(3-pyridyl)piperazine-1-carbothioamide Formula: C18H20N4O2S MolecularWeight: 356.442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CN=CC=C4

InChI

InChI=1S/C18H20N4O2S/c25-18(20-15-2-1-5-19-11-15)22-8-6-21(7-9-22)12-14-3-4-16-17(10-14)24-13-23-16/h1-5,10-11H,6-9,12-13H2,(H,20,25)