1-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-2-[(3,4-dimethoxyphenyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(3,4-dimethoxyphenyl)thio]propan-1-one Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H25NO3S/c1-13(17(19)18-10-6-4-5-7-11-18)22-14-8-9-15(20-2)16(12-14)21-3/h8-9,12-13H,4-7,10-11H2,1-3H3