2,4-bis(chloranyl)-N-[2,2,2-tris(chloranyl)-1-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[2,2,2-tris(chloranyl)-1-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]ethyl]benzamide Openeye Name: 2,4-dichloro-N-[2,2,2-trichloro-1-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]ethyl]benzamide CAS Name: 2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 2,4-dichloro-N-[2,2,2-trichloro-1-[(4-methoxy-2-nitrophenyl)carbamothioylamino]ethyl]benzamide Traditional Name: 2,4-dichloro-N-[2,2,2-trichloro-1-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]ethyl]benzamide Formula: C17H13Cl5N4O4S MolecularWeight: 546.63952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13Cl5N4O4S/c1-30-9-3-5-12(13(7-9)26(28)29)23-16(31)25-15(17(20,21)22)24-14(27)10-4-2-8(18)6-11(10)19/h2-7,15H,1H3,(H,24,27)(H2,23,25,31)