1-[(3-chlorophenyl)methyl]-5-thiomorpholin-4-yl-azepan-2-one

Systemtic Name: 1-[(3-chlorophenyl)methyl]-5-thiomorpholin-4-yl-azepan-2-one Openeye Name: 1-[(3-chlorophenyl)methyl]-5-thiomorpholino-azepan-2-one CAS Name: 1-[(3-chlorophenyl)methyl]-5-thiomorpholin-4-yl-2-azepanone IUPAC Name: 1-[(3-chlorophenyl)methyl]-5-thiomorpholin-4-ylazepan-2-one Traditional Name: 1-(3-chlorobenzyl)-5-thiomorpholino-azepan-2-one Formula: C17H23ClN2OS MolecularWeight: 338.89532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCSCC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC(=O)N(CCC1N2CCSCC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H23ClN2OS/c18-15-3-1-2-14(12-15)13-20-7-6-16(4-5-17(20)21)19-8-10-22-11-9-19/h1-3,12,16H,4-11,13H2