ethyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-yl]acetate CAS Name: 2-[4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-yl]acetate Traditional Name: 2-[4-(piperonylthiocarbamoyl)piperazino]acetic acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N3O4S/c1-2-22-16(21)11-19-5-7-20(8-6-19)17(25)18-10-13-3-4-14-15(9-13)24-12-23-14/h3-4,9H,2,5-8,10-12H2,1H3,(H,18,25)