2-(4-bromanylphenoxy)-N-[3-[(4-nitrophenyl)amino]propylcarbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[3-[(4-nitrophenyl)amino]propylcarbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[3-(4-nitroanilino)propylcarbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[3-(4-nitroanilino)propylamino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[3-(4-nitroanilino)propylcarbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[3-(4-nitroanilino)propylthiocarbamoyl]acetamide Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCNC(=S)NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCCNC(=S)NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN4O4S/c19-13-2-8-16(9-3-13)27-12-17(24)22-18(28)21-11-1-10-20-14-4-6-15(7-5-14)23(25)26/h2-9,20H,1,10-12H2,(H2,21,22,24,28)