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

Systemtic Name: 4-chloranyl-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C23H18ClN5O5S MolecularWeight: 511.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN5O5S/c1-13-4-2-3-5-17(13)22(32)25-16-9-6-14(7-10-16)21(31)27-28-23(35)26-20(30)15-8-11-18(24)19(12-15)29(33)34/h2-12H,1H3,(H,25,32)(H,27,31)(H2,26,28,30,35)