N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H13ClN4O4S/c17-12-6-4-10(5-7-12)8-14(22)19-20-16(26)18-15(23)11-2-1-3-13(9-11)21(24)25/h1-7,9H,8H2,(H,19,22)(H2,18,20,23,26)