2-(4-bromanylphenoxy)-N-[3-[(4-chloranyl-2-nitro-phenyl)amino]propylcarbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[3-[(4-chloranyl-2-nitro-phenyl)amino]propylcarbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[3-(4-chloro-2-nitro-anilino)propylcarbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[3-(4-chloro-2-nitroanilino)propylamino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[3-(4-chloro-2-nitroanilino)propylcarbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[3-(4-chloro-2-nitro-anilino)propylthiocarbamoyl]acetamide Formula: C18H18BrClN4O4S MolecularWeight: 501.78192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC(=S)NCCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC(=S)NCCCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C18H18BrClN4O4S/c19-12-2-5-14(6-3-12)28-11-17(25)23-18(29)22-9-1-8-21-15-7-4-13(20)10-16(15)24(26)27/h2-7,10,21H,1,8-9,11H2,(H2,22,23,25,29)