tert-butyl 4-[2-[(E)-N-tert-butylsulfanyl-C-propan-2-yl-carbonimidoyl]-4-methyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(E)-N-tert-butylsulfanyl-C-propan-2-yl-carbonimidoyl]-4-methyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(E)-N-tert-butylsulfanyl-C-isopropyl-carbonimidoyl]-4-methyl-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[(1E)-1-(tert-butylthio)imino-2-methylpropyl]-4-methylphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(E)-N-tert-butylsulfanyl-C-propan-2-ylcarbonimidoyl]-4-methylphenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-N-(tert-butylthio)-C-isopropyl-carbonimidoyl]-4-methyl-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H39N3O2S MolecularWeight: 433.65036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C(=NSC(C)(C)C)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)/C(=N/SC(C)(C)C)/C(C)C

InChI

InChI=1S/C24H39N3O2S/c1-17(2)21(25-30-24(7,8)9)19-16-18(3)10-11-20(19)26-12-14-27(15-13-26)22(28)29-23(4,5)6/h10-11,16-17H,12-15H2,1-9H3/b25-21+