propan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(piperonylthiocarbamoylamino)butyric acid isopropyl ester Formula: C17H24N2O4S2 MolecularWeight: 384.51346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H24N2O4S2/c1-11(2)23-16(20)13(6-7-25-3)19-17(24)18-9-12-4-5-14-15(8-12)22-10-21-14/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,18,19,24)