N-[4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-methyl-phenyl]benzamide

Systemtic Name: N-[4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-2-methyl-phenyl]benzamide Openeye Name: N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-methyl-phenyl]benzamide CAS Name: N-[4-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]benzamide IUPAC Name: N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-2-methylphenyl]benzamide Traditional Name: N-[4-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-2-methyl-phenyl]benzamide Formula: C23H20ClN3O2S2 MolecularWeight: 470.0068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20ClN3O2S2/c1-15-13-18(9-12-20(15)26-22(29)16-5-3-2-4-6-16)25-23(30)27-21(28)14-31-19-10-7-17(24)8-11-19/h2-13H,14H2,1H3,(H,26,29)(H2,25,27,28,30)