methyl 6-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(piperonylthiocarbamoylamino)-2-(tosylamino)hexanoic acid methyl ester Formula: C23H29N3O6S2 MolecularWeight: 507.62286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C23H29N3O6S2/c1-16-6-9-18(10-7-16)34(28,29)26-19(22(27)30-2)5-3-4-12-24-23(33)25-14-17-8-11-20-21(13-17)32-15-31-20/h6-11,13,19,26H,3-5,12,14-15H2,1-2H3,(H2,24,25,33)