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

Systemtic Name: 3-bromanyl-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C22H17Br2N3O4S MolecularWeight: 579.26108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)Br

InChI

InChI=1S/C22H17Br2N3O4S/c23-17-13-16(27(29)30)7-8-19(17)25-22(32)26-21(28)15-6-9-20(18(24)12-15)31-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H2,25,26,28,32)