tert-butyl N-[4-[2-cyanoethyl-(4-methoxyphenyl)sulfanyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[2-cyanoethyl-(4-methoxyphenyl)sulfanyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-[2-cyanoethyl-(4-methoxyphenyl)sulfanyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[4-[2-cyanoethyl-[(4-methoxyphenyl)thio]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-cyanoethyl-(4-methoxyphenyl)sulfanylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[2-cyanoethyl-[(4-methoxyphenyl)thio]amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CCC#N)SC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CCC#N)SC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C25H33N3O4S/c1-25(2,3)32-24(30)27-22(17-19-9-6-5-7-10-19)23(29)18-28(16-8-15-26)33-21-13-11-20(31-4)12-14-21/h5-7,9-14,22-23,29H,8,16-18H2,1-4H3,(H,27,30)