tert-butyl 4-(3-acetamido-4-phenylsulfanyl-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-acetamido-4-phenylsulfanyl-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-acetamido-4-phenylsulfanyl-phenyl)piperazine-1-carboxylate CAS Name: 4-[3-acetamido-4-(phenylthio)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-acetamido-4-phenylsulfanylphenyl)piperazine-1-carboxylate Traditional Name: 4-[3-acetamido-4-(phenylthio)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)SC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-17(27)24-20-16-18(10-11-21(20)30-19-8-6-5-7-9-19)25-12-14-26(15-13-25)22(28)29-23(2,3)4/h5-11,16H,12-15H2,1-4H3,(H,24,27)