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

Systemtic Name: N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[(4-chlorobenzoyl)amino]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[(4-chlorobenzoyl)amino]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[(4-chlorobenzoyl)amino]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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