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

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C)Br)C)[N+](=O)[O-]

InChI

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