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

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C)OC

InChI

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