(2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(3-phenothiazin-10-ylpropylamino)propan-2-ol

Systemtic Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(3-phenothiazin-10-ylpropylamino)propan-2-ol Openeye Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(3-phenothiazin-10-ylpropylamino)propan-2-ol CAS Name: (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[3-(10-phenothiazinyl)propylamino]-2-propanol IUPAC Name: (2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-phenothiazin-10-ylpropylamino)propan-2-ol Traditional Name: (2S)-1-[bis(4-methoxyphenyl)-phenyl-methoxy]-3-(3-phenothiazin-10-ylpropylamino)propan-2-ol Formula: C39H40N2O4S MolecularWeight: 632.8109

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC(CNCCCN4C5=CC=CC=C5SC6=CC=CC=C64)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@H](CNCCCN4C5=CC=CC=C5SC6=CC=CC=C64)O

InChI

InChI=1S/C39H40N2O4S/c1-43-33-21-17-30(18-22-33)39(29-11-4-3-5-12-29,31-19-23-34(44-2)24-20-31)45-28-32(42)27-40-25-10-26-41-35-13-6-8-15-37(35)46-38-16-9-7-14-36(38)41/h3-9,11-24,32,40,42H,10,25-28H2,1-2H3/t32-/m0/s1