tert-butyl 4-(3-azanyl-3-sulfanylidene-propyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanyl-3-sulfanylidene-propyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-amino-3-thioxo-propyl)piperazine-1-carboxylate CAS Name: 4-(3-amino-3-sulfanylidenepropyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-amino-3-sulfanylidenepropyl)piperazine-1-carboxylate Traditional Name: 4-(3-amino-3-thioxo-propyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C12H23N3O2S MolecularWeight: 273.39492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC(=S)N

InChI

InChI=1S/C12H23N3O2S/c1-12(2,3)17-11(16)15-8-6-14(7-9-15)5-4-10(13)18/h4-9H2,1-3H3,(H2,13,18)