3-azanyl-N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(4-methylphenyl)sulfanyl-benzamide

Systemtic Name: 3-azanyl-N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-amino-N-[(2-chloro-4-fluoro-phenyl)methyl]-4-(p-tolylsulfanyl)benzamide CAS Name: 3-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-amino-N-[(2-chloro-4-fluorophenyl)methyl]-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-amino-N-(2-chloro-4-fluoro-benzyl)-4-(p-tolylthio)benzamide Formula: C21H18ClFN2OS MolecularWeight: 400.896823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3)F)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3)F)Cl)N

InChI

InChI=1S/C21H18ClFN2OS/c1-13-2-7-17(8-3-13)27-20-9-5-14(10-19(20)24)21(26)25-12-15-4-6-16(23)11-18(15)22/h2-11H,12,24H2,1H3,(H,25,26)