(phenylmethyl) N-[4-(6-azanylhexylsulfanyl)-3-oxidanyl-2-oxidanylidene-butyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-(6-azanylhexylsulfanyl)-3-oxidanyl-2-oxidanylidene-butyl]carbamate Openeye Name: benzyl N-[4-(6-aminohexylsulfanyl)-3-hydroxy-2-oxo-butyl]carbamate CAS Name: N-[4-(6-aminohexylthio)-3-hydroxy-2-oxobutyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-(6-aminohexylsulfanyl)-3-hydroxy-2-oxobutyl]carbamate Traditional Name: N-[4-(6-aminohexylthio)-3-hydroxy-2-keto-butyl]carbamic acid benzyl ester Formula: C18H28N2O4S MolecularWeight: 368.49092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)C(CSCCCCCCN)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)C(CSCCCCCCN)O

InChI

InChI=1S/C18H28N2O4S/c19-10-6-1-2-7-11-25-14-17(22)16(21)12-20-18(23)24-13-15-8-4-3-5-9-15/h3-5,8-9,17,22H,1-2,6-7,10-14,19H2,(H,20,23)