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

Systemtic Name: 4-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-bromo-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C17H14BrN3O3S2 MolecularWeight: 452.34536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C17H14BrN3O3S2/c1-23-11-7-12(24-2)14-13(8-11)26-17(19-14)21-16(25)20-15(22)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H2,19,20,21,22,25)