2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: N-(4-nitrophenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: N-(4-nitrophenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S2/c1-15-5-7-17(8-6-15)24-22(30)25-18-3-2-4-20(13-18)31-14-21(27)23-16-9-11-19(12-10-16)26(28)29/h2-13H,14H2,1H3,(H,23,27)(H2,24,25,30)