4-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-3H-1,3-benzothiazole-2-thione

Systemtic Name: 4-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-3H-1,3-benzothiazole-2-thione Openeye Name: 4-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-3H-1,3-benzothiazole-2-thione CAS Name: 4-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-3H-1,3-benzothiazole-2-thione IUPAC Name: 4-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-3H-1,3-benzothiazole-2-thione Traditional Name: 4-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-3H-1,3-benzothiazole-2-thione Formula: C29H39NOS2 MolecularWeight: 481.75606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCCC(C1=C2C(=CC=C1)SC(=S)N2)C3=CC=CC=C3O

Isomeric SMILES

CCCCCCCCCC/C=C/CCCC(C1=C2C(=CC=C1)SC(=S)N2)C3=CC=CC=C3O

InChI

InChI=1S/C29H39NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(24-19-15-16-21-26(24)31)25-20-17-22-27-28(25)30-29(32)33-27/h11-12,15-17,19-23,31H,2-10,13-14,18H2,1H3,(H,30,32)/b12-11+