1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-p-anisyl-1,4-diazepan-1-yl)-2-(p-tolylthio)propan-1-one Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30N2O2S/c1-18-5-11-22(12-6-18)28-19(2)23(26)25-14-4-13-24(15-16-25)17-20-7-9-21(27-3)10-8-20/h5-12,19H,4,13-17H2,1-3H3