N-[2-[2-[(2,4-dichlorophenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[(2,4-dichlorophenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-[(2,4-dichlorophenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(2,4-dichloroanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[(2,4-dichlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[N'-[(2,4-dichlorophenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C16H13Cl2N5O4S MolecularWeight: 442.27652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N5O4S/c17-10-4-5-13(12(18)7-10)20-16(28)22-21-14(24)8-19-15(25)9-2-1-3-11(6-9)23(26)27/h1-7H,8H2,(H,19,25)(H,21,24)(H2,20,22,28)