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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)Cl

InChI

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