1-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-3-propyl-phenyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-(1,3-benzothiazol-2-ylthio)propoxy]-3-propylphenyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-3-propylphenyl]-2-hydroxyethanone Traditional Name: 1-[4-[3-(1,3-benzothiazol-2-ylthio)propoxy]-3-propyl-phenyl]-2-hydroxy-ethanone Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23NO3S2/c1-2-6-16-13-15(18(24)14-23)9-10-19(16)25-11-5-12-26-21-22-17-7-3-4-8-20(17)27-21/h3-4,7-10,13,23H,2,5-6,11-12,14H2,1H3