3-azanyl-5-chloranyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzenethiol

Systemtic Name: 3-azanyl-5-chloranyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzenethiol Openeye Name: 3-amino-5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzenethiol CAS Name: 3-amino-5-chloro-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]benzenethiol IUPAC Name: 3-amino-5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzenethiol Traditional Name: 3-amino-5-chloro-2-[3-[4-(2-methoxyphenyl)piperazino]propyl]benzenethiol Formula: C20H26ClN3OS MolecularWeight: 391.95794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCC3=C(C=C(C=C3N)Cl)S

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC3=C(C=C(C=C3N)Cl)S

InChI

InChI=1S/C20H26ClN3OS/c1-25-19-7-3-2-6-18(19)24-11-9-23(10-12-24)8-4-5-16-17(22)13-15(21)14-20(16)26/h2-3,6-7,13-14,26H,4-5,8-12,22H2,1H3