2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol

Systemtic Name: 2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol Openeye Name: 2-[1,3-bis[(4-chlorophenyl)methyl]hexahydropyrimidin-2-yl]benzenethiol CAS Name: 2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol IUPAC Name: 2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol Traditional Name: 2-[1,3-bis(4-chlorobenzyl)hexahydropyrimidin-2-yl]benzenethiol Formula: C24H24Cl2N2S MolecularWeight: 443.43176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3S)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3S)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24Cl2N2S/c25-20-10-6-18(7-11-20)16-27-14-3-15-28(17-19-8-12-21(26)13-9-19)24(27)22-4-1-2-5-23(22)29/h1-2,4-13,24,29H,3,14-17H2