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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O4S/c1-2-20-15(19)18-7-5-17(6-8-18)14(23)16-11-3-4-12-13(9-11)22-10-21-12/h3-4,9H,2,5-8,10H2,1H3,(H,16,23)