3-nitro-N-[2,2,2-tris(chloranyl)-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2,2,2-tris(chloranyl)-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]benzamide Openeye Name: 3-nitro-N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]benzamide CAS Name: 3-nitro-N-[2,2,2-trichloro-1-[[(2,4-dimethylanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]benzamide Traditional Name: 3-nitro-N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)thiocarbamoylamino]ethyl]benzamide Formula: C18H17Cl3N4O3S MolecularWeight: 475.77658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H17Cl3N4O3S/c1-10-6-7-14(11(2)8-10)22-17(29)24-16(18(19,20)21)23-15(26)12-4-3-5-13(9-12)25(27)28/h3-9,16H,1-2H3,(H,23,26)(H2,22,24,29)