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

Systemtic Name: propan-2-yl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate Openeye Name: isopropyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(piperonylthiocarbamoylamino)benzoic acid isopropyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-12(2)25-18(22)14-4-6-15(7-5-14)21-19(26)20-10-13-3-8-16-17(9-13)24-11-23-16/h3-9,12H,10-11H2,1-2H3,(H2,20,21,26)