N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[(4-chlorobenzoyl)amino]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[(4-chlorobenzoyl)amino]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[(4-chlorobenzoyl)amino]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

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