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

Systemtic Name: 2-bromanyl-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C17H14BrN3OS2 MolecularWeight: 420.34656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC=C3Br)C

InChI

InChI=1S/C17H14BrN3OS2/c1-9-7-10(2)14-13(8-9)24-17(19-14)21-16(23)20-15(22)11-5-3-4-6-12(11)18/h3-8H,1-2H3,(H2,19,20,21,22,23)