N-propan-2-yl-2-[4-[2-(4-propan-2-ylphenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-propan-2-yl-2-[4-[2-(4-propan-2-ylphenyl)sulfanylethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-[2-(4-isopropylphenyl)sulfanylacetyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-[(4-propan-2-ylphenyl)thio]ethyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[4-[2-(4-propan-2-ylphenyl)sulfanylacetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-[2-(p-cumenylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(=O)N2CCCN(CC2)CC(=O)NC(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCC(=O)N2CCCN(CC2)CC(=O)NC(C)C

InChI

InChI=1S/C21H33N3O2S/c1-16(2)18-6-8-19(9-7-18)27-15-21(26)24-11-5-10-23(12-13-24)14-20(25)22-17(3)4/h6-9,16-17H,5,10-15H2,1-4H3,(H,22,25)