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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chloro-2-methylphenyl)-2-phenylacetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C28H24ClN3OS2 MolecularWeight: 518.09266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C28H24ClN3OS2/c1-19-24(29)16-9-17-25(19)32-27(33)26(20-10-4-2-5-11-20)35-23-15-8-14-22(18-23)31-28(34)30-21-12-6-3-7-13-21/h2-18,26H,1H3,(H,32,33)(H2,30,31,34)