1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CSCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CSCCOC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3S/c1-17-14-18(21-26-17)15-22-8-5-9-23(11-10-22)20(24)16-27-13-12-25-19-6-3-2-4-7-19/h2-4,6-7,14H,5,8-13,15-16H2,1H3