(E)-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide

Systemtic Name: (E)-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide Openeye Name: (E)-N-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide CAS Name: (E)-N-[5-(1-naphthalenylmethylamino)-1,3,4-thiadiazol-2-yl]-9-octadecenamide IUPAC Name: (E)-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide Traditional Name: (E)-N-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide Formula: C62H88N8O2S2 MolecularWeight: 1041.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=NN=C(S1)NCC2=CC=CC3=CC=CC=C32.CCCCCCCCC=CCCCCCCCC(=O)NC1=NN=C(S1)NCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=NN=C(S1)NCC2=CC=CC3=CC=CC=C23.CCCCCCCC/C=C/CCCCCCCC(=O)NC1=NN=C(S1)NCC2=CC=CC3=CC=CC=C23

InChI

InChI=1S/2C31H44N4OS/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-29(36)33-31-35-34-30(37-31)32-25-27-22-19-21-26-20-17-18-23-28(26)27/h2*9-10,17-23H,2-8,11-16,24-25H2,1H3,(H,32,34)(H,33,35,36)/b2*10-9+