2-(4-fluorophenyl)sulfanyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C18H22FN3OS2 MolecularWeight: 379.515183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3OS2/c1-14-20-16(12-24-14)11-21-7-2-8-22(10-9-21)18(23)13-25-17-5-3-15(19)4-6-17/h3-6,12H,2,7-11,13H2,1H3