4-[2-[4-[(3-methoxyphenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol

Systemtic Name: 4-[2-[4-[(3-methoxyphenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol Openeye Name: 4-[1-hydroxy-2-[4-(3-methoxy-N-methyl-anilino)butylamino]ethyl]-2-methylsulfanyl-phenol CAS Name: 4-[1-hydroxy-2-[4-(3-methoxy-N-methylanilino)butylamino]ethyl]-2-(methylthio)phenol IUPAC Name: 4-[1-hydroxy-2-[4-(3-methoxy-N-methylanilino)butylamino]ethyl]-2-methylsulfanylphenol Traditional Name: 4-[1-hydroxy-2-[4-(3-methoxy-N-methyl-anilino)butylamino]ethyl]-2-(methylthio)phenol Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCNCC(C1=CC(=C(C=C1)O)SC)O)C2=CC(=CC=C2)OC

Isomeric SMILES

CN(CCCCNCC(C1=CC(=C(C=C1)O)SC)O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H30N2O3S/c1-23(17-7-6-8-18(14-17)26-2)12-5-4-11-22-15-20(25)16-9-10-19(24)21(13-16)27-3/h6-10,13-14,20,22,24-25H,4-5,11-12,15H2,1-3H3