5-methyl-3-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-[(5-methylsulfanyl-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-[[5-(methylthio)-2-thiophenyl]methyl]-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-[[5-(methylthio)-2-thienyl]methyl]-1,4-diazepan-1-yl]methyl]isoxazole Formula: C16H23N3OS2 MolecularWeight: 337.50332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)CC3=CC=C(S3)SC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)CC3=CC=C(S3)SC

InChI

InChI=1S/C16H23N3OS2/c1-13-10-14(17-20-13)11-18-6-3-7-19(9-8-18)12-15-4-5-16(21-2)22-15/h4-5,10H,3,6-9,11-12H2,1-2H3