N-(3-chloranyl-2-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C23H22ClN3OS2 MolecularWeight: 456.02328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C23H22ClN3OS2/c1-15-9-11-17(12-10-15)25-23(29)26-18-5-3-6-19(13-18)30-14-22(28)27-21-8-4-7-20(24)16(21)2/h3-13H,14H2,1-2H3,(H,27,28)(H2,25,26,29)