ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(piperonylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O4S/c1-2-21-16(20)19-7-5-18(6-8-19)15(24)17-10-12-3-4-13-14(9-12)23-11-22-13/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,24)