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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

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