methyl 2-[[1,3-benzodioxol-5-ylmethyl(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(2-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[1,3-benzodioxol-5-ylmethyl(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[piperonyl(2-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C23H21N3O4S/c1-28-22(27)18-7-2-3-8-19(18)25-23(31)26(14-17-6-4-5-11-24-17)13-16-9-10-20-21(12-16)30-15-29-20/h2-12H,13-15H2,1H3,(H,25,31)