2-[2,6-bis(oxidanylidene)-4-phenyl-1,3-diazinan-1-yl]ethyl 4-phenylpiperazine-1-carbodithioate

Systemtic Name: 2-[2,6-bis(oxidanylidene)-4-phenyl-1,3-diazinan-1-yl]ethyl 4-phenylpiperazine-1-carbodithioate Openeye Name: 2-(2,6-dioxo-4-phenyl-hexahydropyrimidin-1-yl)ethyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)ethyl ester IUPAC Name: 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)ethyl 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid 2-(2,6-diketo-4-phenyl-hexahydropyrimidin-1-yl)ethyl ester Formula: C23H26N4O2S2 MolecularWeight: 454.60814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)SCCN3C(=O)CC(NC3=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)SCCN3C(=O)CC(NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S2/c28-21-17-20(18-7-3-1-4-8-18)24-22(29)27(21)15-16-31-23(30)26-13-11-25(12-14-26)19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,24,29)