1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-styrylsulfanyl-propan-1-one CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylthio)-1-propanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-(2-phenylethenylsulfanyl)propan-1-one Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-(styrylthio)propan-1-one Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CCSC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CCSC=CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-18-16-20(22-26-18)17-23-10-5-11-24(13-12-23)21(25)9-15-27-14-8-19-6-3-2-4-7-19/h2-4,6-8,14,16H,5,9-13,15,17H2,1H3