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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

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