N-[4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]phenyl]-3-methyl-benzamide Formula: C23H20ClN3O2S2 MolecularWeight: 470.0068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

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