1-(azepan-1-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]ethanone Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N2OS/c1-19-11-12-20(2)21(15-19)16-27-17-24(22-9-5-6-10-23(22)27)29-18-25(28)26-13-7-3-4-8-14-26/h5-6,9-12,15,17H,3-4,7-8,13-14,16,18H2,1-2H3