tert-butyl 4-(3-chlorophenyl)-5-oxidanylidene-2-[(triphenylmethyl)sulfanylmethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-chlorophenyl)-5-oxidanylidene-2-[(triphenylmethyl)sulfanylmethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-chlorophenyl)-5-oxo-2-(tritylsulfanylmethyl)piperazine-1-carboxylate CAS Name: 4-(3-chlorophenyl)-5-oxo-2-[[(triphenylmethyl)thio]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chlorophenyl)-5-oxo-2-(tritylsulfanylmethyl)piperazine-1-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-keto-2-[(tritylthio)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C35H35ClN2O3S MolecularWeight: 599.182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC1CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(CC1CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C35H35ClN2O3S/c1-34(2,3)41-33(40)38-24-32(39)37(30-21-13-20-29(36)22-30)23-31(38)25-42-35(26-14-7-4-8-15-26,27-16-9-5-10-17-27)28-18-11-6-12-19-28/h4-22,31H,23-25H2,1-3H3