3-[[2-oxidanyl-4-[(E)-pentadec-1-enyl]phenyl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[2-oxidanyl-4-[(E)-pentadec-1-enyl]phenyl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[2-hydroxy-4-[(E)-pentadec-1-enyl]phenyl]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[2-hydroxy-4-[(E)-pentadec-1-enyl]phenyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[2-hydroxy-4-[(E)-pentadec-1-enyl]phenyl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[2-hydroxy-4-[(E)-pentadec-1-enyl]benzyl]-1,3-benzothiazole-2-thione Formula: C29H39NOS2 MolecularWeight: 481.75606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC1=CC(=C(C=C1)CN2C3=CC=CC=C3SC2=S)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C1=CC(=C(C=C1)CN2C3=CC=CC=C3SC2=S)O

InChI

InChI=1S/C29H39NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20-21-25(27(31)22-24)23-30-26-18-15-16-19-28(26)33-29(30)32/h14-22,31H,2-13,23H2,1H3/b17-14+