N-[4-[2-(7-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl)-2-phenyl-ethyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[2-(7-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl)-2-phenyl-ethyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-2-phenyl-ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-2-phenylethyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)-2-phenylethyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(7-keto-4-phenethyl-1,4-diazepan-1-yl)-2-phenyl-ethyl]thio]phenyl]acetamide Formula: C29H33N3O2S MolecularWeight: 487.65622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(C2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(C2=CC=CC=C2)N3CCN(CCC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2S/c1-23(33)30-26-12-14-27(15-13-26)35-22-28(25-10-6-3-7-11-25)32-21-20-31(19-17-29(32)34)18-16-24-8-4-2-5-9-24/h2-15,28H,16-22H2,1H3,(H,30,33)