4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C20H22N4O3S/c25-19(18-14-26-16-5-1-2-6-17(16)27-18)23-8-10-24(11-9-23)20(28)22-13-15-4-3-7-21-12-15/h1-7,12,18H,8-11,13-14H2,(H,22,28)