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

Systemtic Name: tert-butyl 2-(4-chlorophenyl)sulfanyl-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 2-(4-chlorophenyl)sulfanyl-3-oxo-piperazine-1-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-chlorophenyl)sulfanyl-3-oxopiperazine-1-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C15H19ClN2O3S MolecularWeight: 342.84096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(=O)C1SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN2O3S/c1-15(2,3)21-14(20)18-9-8-17-12(19)13(18)22-11-6-4-10(16)5-7-11/h4-7,13H,8-9H2,1-3H3,(H,17,19)