N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]thiophene-2-carboxamide Formula: C14H12BrN3O2S2 MolecularWeight: 398.29798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2)Br

InChI

InChI=1S/C14H12BrN3O2S2/c1-8-4-5-9(7-10(8)15)12(19)17-18-14(21)16-13(20)11-3-2-6-22-11/h2-7H,1H3,(H,17,19)(H2,16,18,20,21)