methyl 5-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]-2-methoxy-benzoate CAS Name: 5-[[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-[(piperonylthiocarbamoylamino)methyl]benzoic acid methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C19H20N2O5S/c1-23-15-5-3-12(7-14(15)18(22)24-2)9-20-19(27)21-10-13-4-6-16-17(8-13)26-11-25-16/h3-8H,9-11H2,1-2H3,(H2,20,21,27)