N-[2,2,2-tris(chloranyl)-1-[(3-nitrophenyl)carbamothioylamino]ethyl]decanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(3-nitrophenyl)carbamothioylamino]ethyl]decanamide Openeye Name: N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]decanamide CAS Name: N-[2,2,2-trichloro-1-[[(3-nitroanilino)-sulfanylidenemethyl]amino]ethyl]decanamide IUPAC Name: N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]decanamide Traditional Name: N-[2,2,2-trichloro-1-[(3-nitrophenyl)thiocarbamoylamino]ethyl]capramide Formula: C19H27Cl3N4O3S MolecularWeight: 497.86668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H27Cl3N4O3S/c1-2-3-4-5-6-7-8-12-16(27)24-17(19(20,21)22)25-18(30)23-14-10-9-11-15(13-14)26(28)29/h9-11,13,17H,2-8,12H2,1H3,(H,24,27)(H2,23,25,30)