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

Systemtic Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-heptadecyl-aniline Openeye Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-heptadecyl-aniline CAS Name: N-heptadecyl-N-phenyl-1,3-benzothiazole-2-sulfenamide IUPAC Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-heptadecylaniline Traditional Name: (1,3-benzothiazol-2-ylthio)-heptadecyl-phenyl-amine Formula: C30H44N2S2 MolecularWeight: 496.81376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-26-32(27-22-17-16-18-23-27)34-30-31-28-24-19-20-25-29(28)33-30/h16-20,22-25H,2-15,21,26H2,1H3