2-(1-azanyl-3-methylsulfanyl-propyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1-azanyl-3-methylsulfanyl-propyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-amino-3-methylsulfanyl-propyl)-N-(1,3-benzodioxol-5-ylmethyl)thiazole-4-carboxamide CAS Name: 2-[1-amino-3-(methylthio)propyl]-N-(1,3-benzodioxol-5-ylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-(1-amino-3-methylsulfanylpropyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-amino-3-(methylthio)propyl]-N-piperonyl-thiazole-4-carboxamide Formula: C16H19N3O3S2 MolecularWeight: 365.47036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC(=CS1)C(=O)NCC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CSCCC(C1=NC(=CS1)C(=O)NCC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H19N3O3S2/c1-23-5-4-11(17)16-19-12(8-24-16)15(20)18-7-10-2-3-13-14(6-10)22-9-21-13/h2-3,6,8,11H,4-5,7,9,17H2,1H3,(H,18,20)