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

Systemtic Name: 1-(azepan-1-yl)-2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-[(3,4-dichlorophenyl)methylthio]-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-[(3,4-dichlorobenzyl)thio]indol-1-yl]ethanone Formula: C23H24Cl2N2OS MolecularWeight: 447.42046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24Cl2N2OS/c24-19-10-9-17(13-20(19)25)16-29-22-14-27(21-8-4-3-7-18(21)22)15-23(28)26-11-5-1-2-6-12-26/h3-4,7-10,13-14H,1-2,5-6,11-12,15-16H2