1-(azepan-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-[(4-chlorophenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(4-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=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

InChI

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