ethyl 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)benzoate Traditional Name: 3-(piperonylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-2-22-17(21)13-4-3-5-14(9-13)20-18(25)19-10-12-6-7-15-16(8-12)24-11-23-15/h3-9H,2,10-11H2,1H3,(H2,19,20,25)