tert-butyl 4-(phenylmethyl)-3-sulfanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(phenylmethyl)-3-sulfanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-benzyl-3-thioxo-piperazine-1-carboxylate CAS Name: 4-(phenylmethyl)-3-sulfanylidene-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-3-sulfanylidenepiperazine-1-carboxylate Traditional Name: 4-benzyl-3-thioxo-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=S)C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=S)C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2S/c1-16(2,3)20-15(19)18-10-9-17(14(21)12-18)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3