4-[3-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]thian-4-ol

Systemtic Name: 4-[3-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]thian-4-ol Openeye Name: 4-[3-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]tetrahydrothiopyran-4-ol CAS Name: 4-[3-[2-methoxy-5-[(4-methyl-1-piperazinyl)methyl]phenoxy]prop-1-ynyl]-4-thianol IUPAC Name: 4-[3-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenoxy]prop-1-ynyl]thian-4-ol Traditional Name: 4-[3-[2-methoxy-5-[(4-methylpiperazino)methyl]phenoxy]prop-1-ynyl]tetrahydrothiopyran-4-ol Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC#CC3(CCSCC3)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC#CC3(CCSCC3)O

InChI

InChI=1S/C21H30N2O3S/c1-22-9-11-23(12-10-22)17-18-4-5-19(25-2)20(16-18)26-13-3-6-21(24)7-14-27-15-8-21/h4-5,16,24H,7-15,17H2,1-2H3