N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline

Systemtic Name: N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline Openeye Name: N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)vinyl]aniline CAS Name: N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline IUPAC Name: N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline Traditional Name: behenyl-[4-[(E)-2-(3-cetyl-2H-1,3-benzothiazol-2-yl)vinyl]phenyl]amine Formula: C53H90N2S MolecularWeight: 787.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C=CC2N(C3=CC=CC=C3S2)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)/C=C/C2N(C3=CC=CC=C3S2)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H90N2S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-37-47-54-50-44-41-49(42-45-50)43-46-53-55(51-39-35-36-40-52(51)56-53)48-38-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h35-36,39-46,53-54H,3-34,37-38,47-48H2,1-2H3/b46-43+