ethyl 4-[3-(methylsulfanylcarbothioylamino)propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(methylsulfanylcarbothioylamino)propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(methylsulfanylcarbothioylamino)propyl]piperazine-1-carboxylate CAS Name: 4-[3-[[(methylthio)-sulfanylidenemethyl]amino]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(methylsulfanylcarbothioylamino)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(methylthio)carbothioylamino]propyl]piperazine-1-carboxylic acid ethyl ester Formula: C12H23N3O2S2 MolecularWeight: 305.45992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCCNC(=S)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCCNC(=S)SC

InChI

InChI=1S/C12H23N3O2S2/c1-3-17-12(16)15-9-7-14(8-10-15)6-4-5-13-11(18)19-2/h3-10H2,1-2H3,(H,13,18)