N-(3-chloranyl-2-methyl-phenyl)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]acetamide Formula: C16H14Cl2N4O3S MolecularWeight: 413.27836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14Cl2N4O3S/c1-9-11(17)3-2-4-13(9)20-15(23)8-19-16(26)21-14-7-10(22(24)25)5-6-12(14)18/h2-7H,8H2,1H3,(H,20,23)(H2,19,21,26)