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

Systemtic Name: 1-(azepan-1-yl)-2-[3-(phenylmethylsulfanyl)indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-(3-benzylsulfanylindol-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-[3-(phenylmethylthio)-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3-benzylsulfanylindol-1-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-(benzylthio)indol-1-yl]ethanone Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2OS/c26-23(24-14-8-1-2-9-15-24)17-25-16-22(20-12-6-7-13-21(20)25)27-18-19-10-4-3-5-11-19/h3-7,10-13,16H,1-2,8-9,14-15,17-18H2