2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-[(3,4-dichlorophenyl)methylthio]-1-indolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[3-[(3,4-dichlorobenzyl)thio]indol-1-yl]-1-piperidino-ethanone Formula: C22H22Cl2N2OS MolecularWeight: 433.39388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2OS/c23-18-9-8-16(12-19(18)24)15-28-21-13-26(20-7-3-2-6-17(20)21)14-22(27)25-10-4-1-5-11-25/h2-3,6-9,12-13H,1,4-5,10-11,14-15H2