[2-(2-azanyl-2-ethyl-hexyl)sulfanyl-4-methoxy-phenyl]-phenyl-methanone

Systemtic Name: [2-(2-azanyl-2-ethyl-hexyl)sulfanyl-4-methoxy-phenyl]-phenyl-methanone Openeye Name: [2-(2-amino-2-ethyl-hexyl)sulfanyl-4-methoxy-phenyl]-phenyl-methanone CAS Name: [2-[(2-amino-2-ethylhexyl)thio]-4-methoxyphenyl]-phenylmethanone IUPAC Name: [2-(2-amino-2-ethylhexyl)sulfanyl-4-methoxyphenyl]-phenylmethanone Traditional Name: [2-[(2-amino-2-ethyl-hexyl)thio]-4-methoxy-phenyl]-phenyl-methanone Formula: C22H29NO2S MolecularWeight: 371.53616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=C(C=CC(=C1)OC)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCCCC(CC)(CSC1=C(C=CC(=C1)OC)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C22H29NO2S/c1-4-6-14-22(23,5-2)16-26-20-15-18(25-3)12-13-19(20)21(24)17-10-8-7-9-11-17/h7-13,15H,4-6,14,16,23H2,1-3H3