1-[4-(4-methoxyphenyl)butan-2-ylamino]-3-(3-methylsulfanyl-4-phenylmethoxy-phenoxy)propan-2-ol

Systemtic Name: 1-[4-(4-methoxyphenyl)butan-2-ylamino]-3-(3-methylsulfanyl-4-phenylmethoxy-phenoxy)propan-2-ol Openeye Name: 1-(4-benzyloxy-3-methylsulfanyl-phenoxy)-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propan-2-ol CAS Name: 1-[4-(4-methoxyphenyl)butan-2-ylamino]-3-[3-(methylthio)-4-phenylmethoxyphenoxy]-2-propanol IUPAC Name: 1-[4-(4-methoxyphenyl)butan-2-ylamino]-3-(3-methylsulfanyl-4-phenylmethoxyphenoxy)propan-2-ol Traditional Name: 1-[4-benzoxy-3-(methylthio)phenoxy]-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propan-2-ol Formula: C28H35NO4S MolecularWeight: 481.6468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(COC2=CC(=C(C=C2)OCC3=CC=CC=C3)SC)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(COC2=CC(=C(C=C2)OCC3=CC=CC=C3)SC)O

InChI

InChI=1S/C28H35NO4S/c1-21(9-10-22-11-13-25(31-2)14-12-22)29-18-24(30)20-32-26-15-16-27(28(17-26)34-3)33-19-23-7-5-4-6-8-23/h4-8,11-17,21,24,29-30H,9-10,18-20H2,1-3H3