tert-butyl (2S)-4-naphthalen-1-ylcarbonyl-2-(3-oxidanylidene-4-sulfanylidene-butyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-naphthalen-1-ylcarbonyl-2-(3-oxidanylidene-4-sulfanylidene-butyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(naphthalene-1-carbonyl)-2-(3-oxo-4-thioxo-butyl)piperazine-1-carboxylate CAS Name: (2S)-4-[1-naphthalenyl(oxo)methyl]-2-(3-oxo-4-sulfanylidenebutyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(naphthalene-1-carbonyl)-2-(3-oxo-4-sulfanylidenebutyl)piperazine-1-carboxylate Traditional Name: (2S)-2-(3-keto-4-thioxo-butyl)-4-(1-naphthoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CCC(=O)C=S)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C[C@@H]1CCC(=O)C=S)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H28N2O4S/c1-24(2,3)30-23(29)26-14-13-25(15-18(26)11-12-19(27)16-31)22(28)21-10-6-8-17-7-4-5-9-20(17)21/h4-10,16,18H,11-15H2,1-3H3/t18-/m0/s1