4-chloranyl-N-[4-(ethanoylcarbamothioylamino)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(ethanoylcarbamothioylamino)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(acetylcarbamothioylamino)phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[4-(acetylcarbamothioylamino)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-(acetylthiocarbamoylamino)phenyl]-4-chloro-3-nitro-benzamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O4S/c1-9(22)18-16(26)20-12-5-3-11(4-6-12)19-15(23)10-2-7-13(17)14(8-10)21(24)25/h2-8H,1H3,(H,19,23)(H2,18,20,22,26)