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

Systemtic Name: 1-(azepan-1-yl)-3-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(4-tert-butylthiazol-2-yl)sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-[(4-tert-butyl-2-thiazolyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(4-tert-butylthiazol-2-yl)thio]propan-1-one Formula: C16H26N2OS2 MolecularWeight: 326.52044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)SCCC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)SCCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H26N2OS2/c1-16(2,3)13-12-21-15(17-13)20-11-8-14(19)18-9-6-4-5-7-10-18/h12H,4-11H2,1-3H3