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

Systemtic Name: 5-bromanyl-2-butoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H20BrN3O4S/c1-3-4-10-27-17-9-8-13(20)11-14(17)18(24)22-19(28)21-15-6-5-7-16(12(15)2)23(25)26/h5-9,11H,3-4,10H2,1-2H3,(H2,21,22,24,28)