1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(4-methylthiazol-2-yl)sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-[(4-methyl-2-thiazolyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(4-methylthiazol-2-yl)thio]propan-1-one Formula: C13H20N2OS2 MolecularWeight: 284.4407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CSC(=N1)SCCC(=O)N2CCCCCC2

InChI

InChI=1S/C13H20N2OS2/c1-11-10-18-13(14-11)17-9-6-12(16)15-7-4-2-3-5-8-15/h10H,2-9H2,1H3