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

Systemtic Name: 6-[2-(azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-[2-(azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one CAS Name: 6-[2-(1-azepanyl)ethylthio]-1,3,5-triphenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-[2-(azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-[2-(azepan-1-yl)ethylthio]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one Formula: C30H31N3OS2 MolecularWeight: 513.71664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3OS2/c34-28-27(24-14-6-3-7-15-24)29(36-23-22-31-20-12-1-2-13-21-31)33(26-18-10-5-11-19-26)30(35)32(28)25-16-8-4-9-17-25/h3-11,14-19H,1-2,12-13,20-23H2