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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S2/c1-15-6-8-17(9-7-15)24-23(31)25-18-4-3-5-20(13-18)32-14-22(28)26-21-11-10-19(27(29)30)12-16(21)2/h3-13H,14H2,1-2H3,(H,26,28)(H2,24,25,31)