3-bromanyl-4-ethoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C17H16BrN3O4S/c1-3-25-15-8-7-11(9-12(15)18)16(22)20-17(26)19-13-5-4-6-14(10(13)2)21(23)24/h4-9H,3H2,1-2H3,(H2,19,20,22,26)