N5-methyl-N5-octadecyl-N3-[2-(3-phenoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

Systemtic Name: N5-methyl-N5-octadecyl-N3-[2-(3-phenoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine Openeye Name: N5-methyl-N5-octadecyl-N3-[2-(3-phenoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine CAS Name: N5-methyl-N5-octadecyl-N3-[2-(3-phenoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine IUPAC Name: 5-N-methyl-5-N-octadecyl-3-N-[2-(3-phenoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine Traditional Name: methyl-[3-[2-(3-phenoxyphenyl)ethylamino]-1,2,4-thiadiazol-5-yl]-stearyl-amine Formula: C35H54N4OS MolecularWeight: 578.89446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=NC(=NS1)NCCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=NC(=NS1)NCCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C35H54N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-39(2)35-37-34(38-41-35)36-28-27-31-23-22-26-33(30-31)40-32-24-19-18-20-25-32/h18-20,22-26,30H,3-17,21,27-29H2,1-2H3,(H,36,38)