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

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Openeye Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Traditional Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-17-20(18(2)27-22-17)15-23-9-6-10-24(12-11-23)21(25)16-28-14-13-26-19-7-4-3-5-8-19/h3-5,7-8H,6,9-16H2,1-2H3