N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H19N5O2S MolecularWeight: 357.43006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H19N5O2S/c25-17(20-13-2-3-14-15(12-13)24-11-10-23-14)22-8-6-21(7-9-22)16-18-4-1-5-19-16/h1-5,12H,6-11H2,(H,20,25)