6-[2-(azepan-1-yl)ethylsulfanyl]-5-ethanoyl-1,3-diphenyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-[2-(azepan-1-yl)ethylsulfanyl]-5-ethanoyl-1,3-diphenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-thioxo-pyrimidin-4-one CAS Name: 5-acetyl-6-[2-(1-azepanyl)ethylthio]-1,3-diphenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-acetyl-6-[2-(azepan-1-yl)ethylthio]-1,3-diphenyl-2-thioxo-pyrimidin-4-one Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCCC4

Isomeric SMILES

CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCCC4

InChI

InChI=1S/C26H29N3O2S2/c1-20(30)23-24(31)28(21-12-6-4-7-13-21)26(32)29(22-14-8-5-9-15-22)25(23)33-19-18-27-16-10-2-3-11-17-27/h4-9,12-15H,2-3,10-11,16-19H2,1H3