4-methyl-N-(3-phenyl-1,3-benzothiazol-2-ylidene)-N'-(phenylsulfonylmethyl)benzenecarboximidamide hydrobromide

Systemtic Name: 4-methyl-N-(3-phenyl-1,3-benzothiazol-2-ylidene)-N'-(phenylsulfonylmethyl)benzenecarboximidamide hydrobromide Openeye Name: N'-(benzenesulfonylmethyl)-4-methyl-N-(3-phenyl-1,3-benzothiazol-2-ylidene)benzamidine hydrobromide CAS Name: N'-(benzenesulfonylmethyl)-4-methyl-N-(3-phenyl-1,3-benzothiazol-2-ylidene)benzenecarboximidamide hydrobromide IUPAC Name: N'-(benzenesulfonylmethyl)-4-methyl-N-(3-phenyl-1,3-benzothiazol-2-ylidene)benzenecarboximidamide hydrobromide Traditional Name: N'-(besylmethyl)-4-methyl-N-(3-phenyl-1,3-benzothiazol-2-ylidene)benzamidine hydrobromide Formula: C28H24BrN3O2S2 MolecularWeight: 578.54306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NCS(=O)(=O)C2=CC=CC=C2)N=C3N(C4=CC=CC=C4S3)C5=CC=CC=C5.Br

Isomeric SMILES

CC1=CC=C(C=C1)/C(=N\CS(=O)(=O)C2=CC=CC=C2)/N=C3N(C4=CC=CC=C4S3)C5=CC=CC=C5.Br

InChI

InChI=1S/C28H23N3O2S2.BrH/c1-21-16-18-22(19-17-21)27(29-20-35(32,33)24-12-6-3-7-13-24)30-28-31(23-10-4-2-5-11-23)25-14-8-9-15-26(25)34-28;/h2-19H,20H2,1H3;1H/b29-27+,30-28?;