N-(1,3-benzothiazol-2-ylimino)-N'-[(4-bromophenyl)amino]-4-methoxy-benzenecarboximidamide

Systemtic Name: N-(1,3-benzothiazol-2-ylimino)-N'-[(4-bromophenyl)amino]-4-methoxy-benzenecarboximidamide Openeye Name: N-(1,3-benzothiazol-2-ylimino)-N'-(4-bromoanilino)-4-methoxy-benzamidine CAS Name: N-(1,3-benzothiazol-2-ylimino)-N'-(4-bromoanilino)-4-methoxybenzenecarboximidamide IUPAC Name: N-(1,3-benzothiazol-2-ylimino)-N'-(4-bromoanilino)-4-methoxybenzenecarboximidamide Traditional Name: N-(1,3-benzothiazol-2-ylimino)-N'-(4-bromoanilino)-4-methoxy-benzamidine Formula: C21H16BrN5OS MolecularWeight: 466.35364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)Br)N=NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)/C(=N\NC2=CC=C(C=C2)Br)/N=NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16BrN5OS/c1-28-17-12-6-14(7-13-17)20(25-24-16-10-8-15(22)9-11-16)26-27-21-23-18-4-2-3-5-19(18)29-21/h2-13,24H,1H3/b25-20+,27-26?