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

Systemtic Name: N-[4-[4-methyl-2-(7-oxidanylidene-4-phenethyl-1,4-diazepan-1-yl)pentyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-methyl-2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)pentyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-methyl-2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)pentyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-methyl-2-(7-oxo-4-phenethyl-1,4-diazepan-1-yl)pentyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(7-keto-4-phenethyl-1,4-diazepan-1-yl)-4-methyl-pentyl]thio]phenyl]acetamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC1=CC=C(C=C1)NC(=O)C)N2CCN(CCC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CSC1=CC=C(C=C1)NC(=O)C)N2CCN(CCC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O2S/c1-21(2)19-25(20-33-26-11-9-24(10-12-26)28-22(3)31)30-18-17-29(16-14-27(30)32)15-13-23-7-5-4-6-8-23/h4-12,21,25H,13-20H2,1-3H3,(H,28,31)