4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]sulfonylmorpholine Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N2O3S3/c21-26(22,20-8-10-23-11-9-20)15-5-3-4-14(12-15)13-24-18-19-16-6-1-2-7-17(16)25-18/h1-7,12H,8-11,13H2