1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one CAS Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)-4-morpholinyl]-3-(1,3-benzothiazol-2-ylthio)-1-propanone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholino]-3-(1,3-benzothiazol-2-ylthio)propan-1-one Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=O)CCSC2=NC3=CC=CC=C3S2)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC(CN1C(=O)CCSC2=NC3=CC=CC=C3S2)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N2O5S2/c25-21(7-10-30-22-23-17-3-1-2-4-20(17)31-22)24-8-9-26-16(12-24)13-27-15-5-6-18-19(11-15)29-14-28-18/h1-6,11,16H,7-10,12-14H2