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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O3S/c17-13-10-12(20(22)23)7-8-14(13)18-16(24)19-15(21)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H2,18,19,21,24)