tert-butyl (2R)-4-(3-chlorophenyl)-2-methanethioyl-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2R)-4-(3-chlorophenyl)-2-methanethioyl-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2R)-4-(3-chlorophenyl)-2-methanethioyl-5-oxo-piperazine-1-carboxylate CAS Name: (2R)-4-(3-chlorophenyl)-2-methanethioyl-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-4-(3-chlorophenyl)-2-methanethioyl-5-oxopiperazine-1-carboxylate Traditional Name: (2R)-4-(3-chlorophenyl)-5-keto-2-thioformyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C16H19ClN2O3S MolecularWeight: 354.85166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC1C=S)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(C[C@@H]1C=S)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H19ClN2O3S/c1-16(2,3)22-15(21)19-9-14(20)18(8-13(19)10-23)12-6-4-5-11(17)7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m1/s1