N-[4-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C23H31N3OS MolecularWeight: 397.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H31N3OS/c1-3-28-23-11-7-21(8-12-23)18-26-14-4-13-25(15-16-26)17-20-5-9-22(10-6-20)24-19(2)27/h5-12H,3-4,13-18H2,1-2H3,(H,24,27)