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

Systemtic Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Openeye Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone CAS Name: 1-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone IUPAC Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Traditional Name: 1-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CSCCOC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CSCCOC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S2/c1-17-21-18(15-27-17)14-22-8-5-9-23(11-10-22)20(24)16-26-13-12-25-19-6-3-2-4-7-19/h2-4,6-7,15H,5,8-14,16H2,1H3