N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-4-nitro-benzamide Formula: C18H16Cl2N4O5S MolecularWeight: 471.31444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl2N4O5S/c19-12-5-8-15(14(20)10-12)29-9-1-2-16(25)22-23-18(30)21-17(26)11-3-6-13(7-4-11)24(27)28/h3-8,10H,1-2,9H2,(H,22,25)(H2,21,23,26,30)