4-(hydroxymethyl)-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol

Systemtic Name: 4-(hydroxymethyl)-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol Openeye Name: 4-(hydroxymethyl)-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol CAS Name: 4-(hydroxymethyl)-7-methoxy-4-[3-(4-phenyl-1-piperazinyl)propyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol IUPAC Name: 4-(hydroxymethyl)-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol Traditional Name: 7-methoxy-4-methylol-4-[3-(4-phenylpiperazino)propyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C(S2)(CCCN3CCN(CC3)C4=CC=CC=C4)CO)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(C(S2)(CCCN3CCN(CC3)C4=CC=CC=C4)CO)O

InChI

InChI=1S/C24H32N2O4S/c1-29-20-8-9-21-22(16-20)31-24(18-27,23(28)17-30-21)10-5-11-25-12-14-26(15-13-25)19-6-3-2-4-7-19/h2-4,6-9,16,23,27-28H,5,10-15,17-18H2,1H3