N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonyl-4-nitro-benzamide

Systemtic Name: N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonyl-4-nitro-benzamide Openeye Name: 4-nitro-N-[4-(p-tolylcarbamothioylamino)phenyl]sulfonyl-benzamide CAS Name: N-[4-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonyl-4-nitrobenzamide IUPAC Name: N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonyl-4-nitrobenzamide Traditional Name: 4-nitro-N-[4-(p-tolylthiocarbamoylamino)phenyl]sulfonyl-benzamide Formula: C21H18N4O5S2 MolecularWeight: 470.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S2/c1-14-2-6-16(7-3-14)22-21(31)23-17-8-12-19(13-9-17)32(29,30)24-20(26)15-4-10-18(11-5-15)25(27)28/h2-13H,1H3,(H,24,26)(H2,22,23,31)