[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-methylsulfanyl-phenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-methylsulfanyl-phenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-methylsulfanyl-phenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[2-methyl-5-(methylthio)phenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone Traditional Name: [2-methyl-5-(methylthio)phenyl]-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-17-5-10-20(27-3)15-21(17)22(25)24-12-4-11-23(13-14-24)16-18-6-8-19(26-2)9-7-18/h5-10,15H,4,11-14,16H2,1-3H3