N-(3-chlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chlorophenyl)acetamide IUPAC Name: N-(3-chlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C21H18ClN3OS2 MolecularWeight: 427.97012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3OS2/c22-15-6-4-9-17(12-15)23-20(26)14-28-19-11-5-10-18(13-19)25-21(27)24-16-7-2-1-3-8-16/h1-13H,14H2,(H,23,26)(H2,24,25,27)