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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

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