N-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(chloranyl)pyridin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3,5-bis(chloranyl)pyridin-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichloro-4-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3,5-dichloropyridin-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dichloro-4-pyridyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C18H18Cl2N4O2S MolecularWeight: 425.33212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18Cl2N4O2S/c19-13-9-21-10-14(20)17(13)23-3-5-24(6-4-23)18(27)22-8-12-1-2-15-16(7-12)26-11-25-15/h1-2,7,9-10H,3-6,8,11H2,(H,22,27)