4-chloranyl-N-[[(2-methoxyphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[(2-methoxyphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[(2-methoxybenzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[(2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[(2-methoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[(o-anisoylamino)thiocarbamoyl]benzamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c1-26-13-5-3-2-4-10(13)15(23)19-20-16(27)18-14(22)9-6-7-11(17)12(8-9)21(24)25/h2-8H,1H3,(H,19,23)(H2,18,20,22,27)