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

Systemtic Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-octadecyl-aniline Openeye Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-octadecyl-aniline CAS Name: N-octadecyl-N-phenyl-1,3-benzothiazole-2-sulfenamide IUPAC Name: N-(1,3-benzothiazol-2-ylsulfanyl)-N-octadecylaniline Traditional Name: (1,3-benzothiazol-2-ylthio)-phenyl-stearyl-amine Formula: C31H46N2S2 MolecularWeight: 510.84034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-33(28-23-18-17-19-24-28)35-31-32-29-25-20-21-26-30(29)34-31/h17-21,23-26H,2-16,22,27H2,1H3