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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Formula: C12H15N3O2S MolecularWeight: 265.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=S)N

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=S)N

InChI

InChI=1S/C12H15N3O2S/c13-12(18)15-5-3-14(4-6-15)9-1-2-10-11(7-9)17-8-16-10/h1-2,7H,3-6,8H2,(H2,13,18)