5-chloranyl-3H-1,3-benzothiazole-2-thione; hexadecan-1-amine

Systemtic Name: 5-chloranyl-3H-1,3-benzothiazole-2-thione; hexadecan-1-amine Openeye Name: 5-chloro-3H-1,3-benzothiazole-2-thione; hexadecan-1-amine CAS Name: 5-chloro-3H-1,3-benzothiazole-2-thione; 1-hexadecanamine IUPAC Name: 5-chloro-3H-1,3-benzothiazole-2-thione; hexadecan-1-amine Traditional Name: cetylamine; 5-chloro-3H-1,3-benzothiazole-2-thione Formula: C23H39ClN2S2 MolecularWeight: 443.15216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN.C1=CC2=C(C=C1Cl)NC(=S)S2

Isomeric SMILES

CCCCCCCCCCCCCCCCN.C1=CC2=C(C=C1Cl)NC(=S)S2

InChI

InChI=1S/C16H35N.C7H4ClNS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;8-4-1-2-6-5(3-4)9-7(10)11-6/h2-17H2,1H3;1-3H,(H,9,10)