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

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-phenylsulfanylethanone Traditional Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-phenyl-2-(phenylthio)ethanone Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19-23(20(2)30-26-19)18-27-14-9-15-28(17-16-27)25(29)24(21-10-5-3-6-11-21)31-22-12-7-4-8-13-22/h3-8,10-13,24H,9,14-18H2,1-2H3