1-[4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-hydroxy-propoxy]phenyl]ethanone Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN(C)CC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CN(C)CC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C20H22N2O3S/c1-14(23)15-7-9-17(10-8-15)25-13-16(24)11-22(2)12-20-21-18-5-3-4-6-19(18)26-20/h3-10,16,24H,11-13H2,1-2H3