3-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-4-oxidanyl-1-phenyl-pentan-1-one

Systemtic Name: 3-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-4-oxidanyl-1-phenyl-pentan-1-one Openeye Name: 3-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-4-hydroxy-1-phenyl-pentan-1-one CAS Name: 3-[3-(1,3-benzothiazol-2-ylthio)propoxy]-4-hydroxy-1-phenyl-1-pentanone IUPAC Name: 3-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-4-hydroxy-1-phenylpentan-1-one Traditional Name: 3-[3-(1,3-benzothiazol-2-ylthio)propoxy]-4-hydroxy-1-phenyl-pentan-1-one Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S2/c1-15(23)19(14-18(24)16-8-3-2-4-9-16)25-12-7-13-26-21-22-17-10-5-6-11-20(17)27-21/h2-6,8-11,15,19,23H,7,12-14H2,1H3