tert-butyl N-[1-[2-(octylcarbamothioyl)phenyl]-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-(octylcarbamothioyl)phenyl]-3-oxidanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(hydroxymethyl)-2-[2-(octylcarbamothioyl)phenyl]ethyl]carbamate CAS Name: N-[1-hydroxy-3-[2-[(octylamino)-sulfanylidenemethyl]phenyl]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-hydroxy-3-[2-(octylcarbamothioyl)phenyl]propan-2-yl]carbamate Traditional Name: N-[1-methylol-2-[2-(octylthiocarbamoyl)phenyl]ethyl]carbamic acid tert-butyl ester Formula: C23H38N2O3S MolecularWeight: 422.62442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)C1=CC=CC=C1CC(CO)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCNC(=S)C1=CC=CC=C1CC(CO)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H38N2O3S/c1-5-6-7-8-9-12-15-24-21(29)20-14-11-10-13-18(20)16-19(17-26)25-22(27)28-23(2,3)4/h10-11,13-14,19,26H,5-9,12,15-17H2,1-4H3,(H,24,29)(H,25,27)