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

Systemtic Name: 3-bromanyl-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: 3-bromo-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-butoxy-benzamide Formula: C18H17Br2N3O4S MolecularWeight: 531.21828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Br2N3O4S/c1-2-3-8-27-16-7-4-11(9-14(16)20)17(24)22-18(28)21-15-6-5-12(23(25)26)10-13(15)19/h4-7,9-10H,2-3,8H2,1H3,(H2,21,22,24,28)