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

Systemtic Name: 5-bromanyl-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O4S/c1-9-5-6-14(22(24)25)15(11(9)3)20-18(27)21-17(23)13-8-12(19)7-10(2)16(13)26-4/h5-8H,1-4H3,(H2,20,21,23,27)