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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C20H14BrN3O3S MolecularWeight: 456.31246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O3S/c21-17-12-16(24(26)27)10-11-18(17)22-20(28)23-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,22,23,25,28)