N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C)Br

InChI

InChI=1S/C17H16BrN3O3S/c1-9-7-12(18)8-10(2)15(9)19-17(25)20-16(22)13-5-4-6-14(11(13)3)21(23)24/h4-8H,1-3H3,(H2,19,20,22,25)