3-[(3-chloranyl-4-methylsulfanyl-phenyl)sulfanylcarbamoylamino]-2-methyl-4-phenyl-benzamide

Systemtic Name: 3-[(3-chloranyl-4-methylsulfanyl-phenyl)sulfanylcarbamoylamino]-2-methyl-4-phenyl-benzamide Openeye Name: 3-[(3-chloro-4-methylsulfanyl-phenyl)sulfanylcarbamoylamino]-2-methyl-4-phenyl-benzamide CAS Name: 3-[[[[[3-chloro-4-(methylthio)phenyl]thio]amino]-oxomethyl]amino]-2-methyl-4-phenylbenzamide IUPAC Name: 3-[(3-chloro-4-methylsulfanylphenyl)sulfanylcarbamoylamino]-2-methyl-4-phenylbenzamide Traditional Name: 3-[[[3-chloro-4-(methylthio)phenyl]thio]carbamoylamino]-2-methyl-4-phenyl-benzamide Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NC(=O)NSC2=CC(=C(C=C2)SC)Cl)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1NC(=O)NSC2=CC(=C(C=C2)SC)Cl)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H20ClN3O2S2/c1-13-16(21(24)27)9-10-17(14-6-4-3-5-7-14)20(13)25-22(28)26-30-15-8-11-19(29-2)18(23)12-15/h3-12H,1-2H3,(H2,24,27)(H2,25,26,28)