tert-butyl N-[1-oxidanylidene-1-[(3-phenylmethoxyphenyl)methylamino]-4-sulfanyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-1-[(3-phenylmethoxyphenyl)methylamino]-4-sulfanyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(3-benzyloxyphenyl)methylcarbamoyl]-3-sulfanyl-propyl]carbamate CAS Name: N-[4-mercapto-1-oxo-1-[(3-phenylmethoxyphenyl)methylamino]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-oxo-1-[(3-phenylmethoxyphenyl)methylamino]-4-sulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[(3-benzoxybenzyl)carbamoyl]-3-mercapto-propyl]carbamic acid tert-butyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCS)C(=O)NCC1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCS)C(=O)NCC1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O4S/c1-23(2,3)29-22(27)25-20(12-13-30)21(26)24-15-18-10-7-11-19(14-18)28-16-17-8-5-4-6-9-17/h4-11,14,20,30H,12-13,15-16H2,1-3H3,(H,24,26)(H,25,27)