[2-(4-bromophenyl)-5-chloranyl-1H-indol-3-yl] (3S)-3-oxidanylpiperidine-1-carbodithioate

Systemtic Name: [2-(4-bromophenyl)-5-chloranyl-1H-indol-3-yl] (3S)-3-oxidanylpiperidine-1-carbodithioate Openeye Name: [2-(4-bromophenyl)-5-chloro-1H-indol-3-yl] (3S)-3-hydroxypiperidine-1-carbodithioate CAS Name: (3S)-3-hydroxy-1-piperidinecarbodithioic acid [2-(4-bromophenyl)-5-chloro-1H-indol-3-yl] ester IUPAC Name: [2-(4-bromophenyl)-5-chloro-1H-indol-3-yl] (3S)-3-hydroxypiperidine-1-carbodithioate Traditional Name: (3S)-3-hydroxypiperidine-1-carbodithioic acid [2-(4-bromophenyl)-5-chloro-1H-indol-3-yl] ester Formula: C20H18BrClN2OS2 MolecularWeight: 481.85672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)SC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Br)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=S)SC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C20H18BrClN2OS2/c21-13-5-3-12(4-6-13)18-19(16-10-14(22)7-8-17(16)23-18)27-20(26)24-9-1-2-15(25)11-24/h3-8,10,15,23,25H,1-2,9,11H2/t15-/m0/s1