N-(3-bromophenyl)-4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-oxidanyl-ethyl]piperidine-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]-1-oxidanyl-ethyl]piperidine-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-[1-hydroxy-2-[4-(1H-indol-3-yl)-1-piperidyl]ethyl]piperidine-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-[1-hydroxy-2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-1-piperidinecarbothioamide IUPAC Name: N-(3-bromophenyl)-4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-[1-hydroxy-2-[4-(1H-indol-3-yl)piperidino]ethyl]piperidine-1-carbothioamide Formula: C27H33BrN4OS MolecularWeight: 541.54612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=CC=CC=C32)CC(C4CCN(CC4)C(=S)NC5=CC(=CC=C5)Br)O

Isomeric SMILES

C1CN(CCC1C2=CNC3=CC=CC=C32)CC(C4CCN(CC4)C(=S)NC5=CC(=CC=C5)Br)O

InChI

InChI=1S/C27H33BrN4OS/c28-21-4-3-5-22(16-21)30-27(34)32-14-10-20(11-15-32)26(33)18-31-12-8-19(9-13-31)24-17-29-25-7-2-1-6-23(24)25/h1-7,16-17,19-20,26,29,33H,8-15,18H2,(H,30,34)