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

Systemtic Name: N-[4-[4-methyl-2-[4-(2-methylpropyl)-7-oxidanylidene-1,4-diazepan-1-yl]pentyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-(4-isobutyl-7-oxo-1,4-diazepan-1-yl)-4-methyl-pentyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-methyl-2-[4-(2-methylpropyl)-7-oxo-1,4-diazepan-1-yl]pentyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-methyl-2-[4-(2-methylpropyl)-7-oxo-1,4-diazepan-1-yl]pentyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(4-isobutyl-7-keto-1,4-diazepan-1-yl)-4-methyl-pentyl]thio]phenyl]acetamide Formula: C23H37N3O2S MolecularWeight: 419.62378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O2S/c1-17(2)14-21(16-29-22-8-6-20(7-9-22)24-19(5)27)26-13-12-25(15-18(3)4)11-10-23(26)28/h6-9,17-18,21H,10-16H2,1-5H3,(H,24,27)