N-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[N'-[(3-chlorophenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O4S/c17-11-4-2-5-12(8-11)19-16(27)21-20-14(23)9-18-15(24)10-3-1-6-13(7-10)22(25)26/h1-8H,9H2,(H,18,24)(H,20,23)(H2,19,21,27)