(phenylmethyl) N-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-propan-2-ylsulfanyl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-oxidanylidene-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-propan-2-ylsulfanyl-ethyl]carbamate Openeye Name: benzyl N-[2-(4-benzyl-1,4-diazepan-1-yl)-1-isopropylsulfanyl-2-oxo-ethyl]carbamate CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-(propan-2-ylthio)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-1-propan-2-ylsulfanylethyl]carbamate Traditional Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-1-(isopropylthio)-2-keto-ethyl]carbamic acid benzyl ester Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3S/c1-20(2)32-23(26-25(30)31-19-22-12-7-4-8-13-22)24(29)28-15-9-14-27(16-17-28)18-21-10-5-3-6-11-21/h3-8,10-13,20,23H,9,14-19H2,1-2H3,(H,26,30)