1-(azepan-1-yl)-3-[(3,4-dichlorophenyl)methylsulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[(3,4-dichlorophenyl)methylsulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[(3,4-dichlorophenyl)methylsulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[(3,4-dichlorophenyl)methylthio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(3,4-dichlorophenyl)methylsulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[(3,4-dichlorobenzyl)thio]propan-1-one Formula: C16H21Cl2NOS MolecularWeight: 346.31504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H21Cl2NOS/c17-14-6-5-13(11-15(14)18)12-21-10-7-16(20)19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10,12H2