N-[[3,5-bis(chloranyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3,5-bis(chloranyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3,5-dichlorophenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(3,5-dichloroanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3,5-dichlorophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3,5-dichlorophenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C14H8Cl2N4O5S MolecularWeight: 415.20812

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H8Cl2N4O5S/c15-8-3-9(16)5-10(4-8)17-14(26)18-13(21)7-1-11(19(22)23)6-12(2-7)20(24)25/h1-6H,(H2,17,18,21,26)