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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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