1-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]-3-methyl-2-oxidanyl-phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]-3-methyl-2-oxidanyl-phenyl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]-2-hydroxy-3-methyl-phenyl]-3-methyl-butan-1-one CAS Name: 1-[4-[4-(1,3-benzothiazol-2-ylthio)butoxy]-2-hydroxy-3-methylphenyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]-2-hydroxy-3-methylphenyl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-(1,3-benzothiazol-2-ylthio)butoxy]-2-hydroxy-3-methyl-phenyl]-3-methyl-butan-1-one Formula: C23H27NO3S2 MolecularWeight: 429.59538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27NO3S2/c1-15(2)14-19(25)17-10-11-20(16(3)22(17)26)27-12-6-7-13-28-23-24-18-8-4-5-9-21(18)29-23/h4-5,8-11,15,26H,6-7,12-14H2,1-3H3