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

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)-2-phenyl-ethanamide Openeye Name: N-(4-nitrophenyl)-2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)-2-phenylacetamide Traditional Name: N-(4-nitrophenyl)-2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C28H24N4O3S2 MolecularWeight: 528.64516

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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=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O3S2/c1-19-10-12-22(13-11-19)30-28(36)31-23-8-5-9-25(18-23)37-26(20-6-3-2-4-7-20)27(33)29-21-14-16-24(17-15-21)32(34)35/h2-18,26H,1H3,(H,29,33)(H2,30,31,36)