(phenylmethyl) N-[2-oxidanylidene-1-propan-2-ylsulfanyl-2-(3,3,5-trimethylazepan-1-yl)ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-oxidanylidene-1-propan-2-ylsulfanyl-2-(3,3,5-trimethylazepan-1-yl)ethyl]carbamate Openeye Name: benzyl N-[1-isopropylsulfanyl-2-oxo-2-(3,3,5-trimethylazepan-1-yl)ethyl]carbamate CAS Name: N-[2-oxo-1-(propan-2-ylthio)-2-(3,3,5-trimethyl-1-azepanyl)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-oxo-1-propan-2-ylsulfanyl-2-(3,3,5-trimethylazepan-1-yl)ethyl]carbamate Traditional Name: N-[1-(isopropylthio)-2-keto-2-(3,3,5-trimethylazepan-1-yl)ethyl]carbamic acid benzyl ester Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C(NC(=O)OCC2=CC=CC=C2)SC(C)C

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C(NC(=O)OCC2=CC=CC=C2)SC(C)C

InChI

InChI=1S/C22H34N2O3S/c1-16(2)28-19(23-21(26)27-14-18-9-7-6-8-10-18)20(25)24-12-11-17(3)13-22(4,5)15-24/h6-10,16-17,19H,11-15H2,1-5H3,(H,23,26)