N-(2-methyl-5-nitro-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-methyl-5-nitrophenyl)-2-phenylacetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C28H24N4O3S2 MolecularWeight: 528.64516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

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