tert-butyl 2-(4-chlorophenyl)sulfanyl-2-methyl-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(4-chlorophenyl)sulfanyl-2-methyl-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 2-(4-chlorophenyl)sulfanyl-2-methyl-3-oxo-piperazine-1-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-2-methyl-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-chlorophenyl)sulfanyl-2-methyl-3-oxopiperazine-1-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]-3-keto-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21ClN2O3S MolecularWeight: 356.86754

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1C(=O)OC(C)(C)C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1(C(=O)NCCN1C(=O)OC(C)(C)C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN2O3S/c1-15(2,3)22-14(21)19-10-9-18-13(20)16(19,4)23-12-7-5-11(17)6-8-12/h5-8H,9-10H2,1-4H3,(H,18,20)