N,N-dimethyl-4-[(E)-2-[6-methyl-3-(phenylmethyl)-2H-1,3-benzothiazol-2-yl]ethenyl]aniline bromide

Systemtic Name: N,N-dimethyl-4-[(E)-2-[6-methyl-3-(phenylmethyl)-2H-1,3-benzothiazol-2-yl]ethenyl]aniline bromide Openeye Name: 4-[(E)-2-(3-benzyl-6-methyl-2H-1,3-benzothiazol-2-yl)vinyl]-N,N-dimethyl-aniline bromide CAS Name: N,N-dimethyl-4-[(E)-2-[6-methyl-3-(phenylmethyl)-2H-1,3-benzothiazol-2-yl]ethenyl]aniline bromide IUPAC Name: 4-[(E)-2-(3-benzyl-6-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline bromide Traditional Name: [4-[(E)-2-(3-benzyl-6-methyl-2H-1,3-benzothiazol-2-yl)vinyl]phenyl]-dimethyl-amine bromide Formula: C25H26BrN2S- MolecularWeight: 466.45634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(S2)C=CC3=CC=C(C=C3)N(C)C)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(S2)/C=C/C3=CC=C(C=C3)N(C)C)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H26N2S.BrH/c1-19-9-15-23-24(17-19)28-25(27(23)18-21-7-5-4-6-8-21)16-12-20-10-13-22(14-11-20)26(2)3;/h4-17,25H,18H2,1-3H3;1H/p-1/b16-12+;