N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-(4-bromophenoxy)acetamide Formula: C22H16BrN3O3S2 MolecularWeight: 514.41474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)COC4=CC=C(C=C4)Br)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)COC4=CC=C(C=C4)Br)S2

InChI

InChI=1S/C22H16BrN3O3S2/c23-13-5-8-15(9-6-13)29-12-20(28)26-22(30)24-14-7-10-18(27)16(11-14)21-25-17-3-1-2-4-19(17)31-21/h1-11,25H,12H2,(H2,24,26,28,30)