N-(2-methyl-5-nitro-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-methyl-5-nitrophenyl)-2-phenylacetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C29H26N4O3S2 MolecularWeight: 542.67174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C29H26N4O3S2/c1-19-11-14-22(15-12-19)30-29(37)31-23-9-6-10-25(17-23)38-27(21-7-4-3-5-8-21)28(34)32-26-18-24(33(35)36)16-13-20(26)2/h3-18,27H,1-2H3,(H,32,34)(H2,30,31,37)