N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(2,4-dichlorophenoxy)butanoylamino]thiocarbamoyl]-3-nitro-benzamide Formula: C18H16Cl2N4O5S MolecularWeight: 471.31444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O5S/c19-12-6-7-15(14(20)10-12)29-8-2-5-16(25)22-23-18(30)21-17(26)11-3-1-4-13(9-11)24(27)28/h1,3-4,6-7,9-10H,2,5,8H2,(H,22,25)(H2,21,23,26,30)