1,3-benzothiazol-2-yl (Z)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate

Systemtic Name: 1,3-benzothiazol-2-yl (Z)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate Openeye Name: 1,3-benzothiazol-2-yl (Z)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate CAS Name: (Z)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl (Z)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate Traditional Name: (Z)-N-brosylbenzenecarboximidothioic acid 1,3-benzothiazol-2-yl ester Formula: C20H13BrN2O2S3 MolecularWeight: 489.42842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)Br)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)/C(=N/S(=O)(=O)C2=CC=C(C=C2)Br)/SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H13BrN2O2S3/c21-15-10-12-16(13-11-15)28(24,25)23-19(14-6-2-1-3-7-14)27-20-22-17-8-4-5-9-18(17)26-20/h1-13H/b23-19-