1-(azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-[(2-chlorophenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(2-chlorobenzyl)indol-3-yl]thio]ethanone Formula: C23H25ClN2OS MolecularWeight: 412.9754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN2OS/c24-20-11-5-3-9-18(20)15-26-16-22(19-10-4-6-12-21(19)26)28-17-23(27)25-13-7-1-2-8-14-25/h3-6,9-12,16H,1-2,7-8,13-15,17H2