3-bromanyl-N-[(3-cyanophenyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[(3-cyanophenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(3-cyanophenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[(3-cyanoanilino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(3-cyanophenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(3-cyanophenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C16H12BrN3OS MolecularWeight: 374.25498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C#N)Br

InChI

InChI=1S/C16H12BrN3OS/c1-10-5-6-12(8-14(10)17)15(21)20-16(22)19-13-4-2-3-11(7-13)9-18/h2-8H,1H3,(H2,19,20,21,22)