N-[[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide

Systemtic Name: N-[[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: N-[[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: N-[[[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: N-[[2-[2-(4-bromophenyl)ethylamino]-1,3-benzothiazol-6-yl]thiocarbamoyl]benzamide Formula: C23H19BrN4OS2 MolecularWeight: 511.45716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NCCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NCCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN4OS2/c24-17-8-6-15(7-9-17)12-13-25-23-27-19-11-10-18(14-20(19)31-23)26-22(30)28-21(29)16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,25,27)(H2,26,28,29,30)