2-[4-[2-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-[(6-tert-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-[(6-tert-butyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-[(6-tert-butyl-4-keto-1H-pyrimidin-2-yl)thio]acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O3S/c1-23(2,3)18-14-19(29)26-22(25-18)32-16-21(31)28-11-7-10-27(12-13-28)15-20(30)24-17-8-5-4-6-9-17/h4-6,8-9,14H,7,10-13,15-16H2,1-3H3,(H,24,30)(H,25,26,29)