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

Systemtic Name: N-[4-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]phenyl]benzamide Openeye Name: N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]phenyl]benzamide CAS Name: N-[4-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[4-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]phenyl]benzamide Traditional Name: N-[4-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]phenyl]benzamide Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2S2/c23-16-6-12-19(13-7-16)30-14-20(27)26-22(29)25-18-10-8-17(9-11-18)24-21(28)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,28)(H2,25,26,27,29)