[2-(2-azanyl-2-ethyl-hexyl)sulfanyl-4,5-dimethoxy-phenyl]-phenyl-methanone

Systemtic Name: [2-(2-azanyl-2-ethyl-hexyl)sulfanyl-4,5-dimethoxy-phenyl]-phenyl-methanone Openeye Name: [2-(2-amino-2-ethyl-hexyl)sulfanyl-4,5-dimethoxy-phenyl]-phenyl-methanone CAS Name: [2-[(2-amino-2-ethylhexyl)thio]-4,5-dimethoxyphenyl]-phenylmethanone IUPAC Name: [2-(2-amino-2-ethylhexyl)sulfanyl-4,5-dimethoxyphenyl]-phenylmethanone Traditional Name: [2-[(2-amino-2-ethyl-hexyl)thio]-4,5-dimethoxy-phenyl]-phenyl-methanone Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)OC)OC)N

Isomeric SMILES

CCCCC(CC)(CSC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)OC)OC)N

InChI

InChI=1S/C23H31NO3S/c1-5-7-13-23(24,6-2)16-28-21-15-20(27-4)19(26-3)14-18(21)22(25)17-11-9-8-10-12-17/h8-12,14-15H,5-7,13,16,24H2,1-4H3