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

Systemtic Name: N-[4-[2-(4-methyl-7-oxidanylidene-1,4-diazepan-1-yl)-2-phenyl-ethyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-phenyl-ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-phenylethyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-phenylethyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(7-keto-4-methyl-1,4-diazepan-1-yl)-2-phenyl-ethyl]thio]phenyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-17(26)23-19-8-10-20(11-9-19)28-16-21(18-6-4-3-5-7-18)25-15-14-24(2)13-12-22(25)27/h3-11,21H,12-16H2,1-2H3,(H,23,26)