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

Systemtic Name: 1-(azepan-1-yl)-2-[3-[(2-chlorophenyl)methylsulfanyl]indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-[(2-chlorophenyl)methylsulfanyl]indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-[(2-chlorophenyl)methylthio]-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-[(2-chlorophenyl)methylsulfanyl]indol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-[(2-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=C4Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4Cl

InChI

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