tert-butyl 4-[(phenylmethylsulfanyl)amino]benzoate

Systemtic Name: tert-butyl 4-[(phenylmethylsulfanyl)amino]benzoate Openeye Name: tert-butyl 4-(benzylsulfanylamino)benzoate CAS Name: 4-[(phenylmethylthio)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(benzylsulfanylamino)benzoate Traditional Name: 4-[(benzylthio)amino]benzoic acid tert-butyl ester Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NSCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NSCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2S/c1-18(2,3)21-17(20)15-9-11-16(12-10-15)19-22-13-14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3