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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=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(=C1)C(=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/c1-13-3-2-4-15(11-13)20(30)25-17-8-5-14(6-9-17)22(32)27-28-23(35)26-21(31)16-7-10-18(24)19(12-16)29(33)34/h2-12H,1H3,(H,25,30)(H,27,32)(H2,26,28,31,35)