N-(1,3-benzothiazol-2-ylsulfanyl)-N-hexadecyl-aniline

Systemtic Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-hexadecyl-aniline Openeye Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-hexadecyl-aniline CAS Name: N-hexadecyl-N-phenyl-1,3-benzothiazole-2-sulfenamide IUPAC Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-hexadecylaniline Traditional Name: (1,3-benzothiazol-2-ylthio)-cetyl-phenyl-amine Formula: C29H42N2S2 MolecularWeight: 482.78718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C29H42N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-31(26-21-16-15-17-22-26)33-29-30-27-23-18-19-24-28(27)32-29/h15-19,21-24H,2-14,20,25H2,1H3