N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-(propan-2-ylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-piperonylamide Formula: C13H13N3O3S2 MolecularWeight: 323.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)SC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13N3O3S2/c1-7(2)20-13-16-15-12(21-13)14-11(17)8-3-4-9-10(5-8)19-6-18-9/h3-5,7H,6H2,1-2H3,(H,14,15,17)