3,5-bis(bromanyl)-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 3,5-bis(bromanyl)-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C17H15Br2N3O4S MolecularWeight: 517.1917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C

InChI

InChI=1S/C17H15Br2N3O4S/c1-8-4-5-13(22(24)25)14(9(8)2)20-17(27)21-16(23)11-6-10(18)7-12(19)15(11)26-3/h4-7H,1-3H3,(H2,20,21,23,27)