N-[2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]phenyl]-2-methyl-pentanamide

Systemtic Name: N-[2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]phenyl]-2-methyl-pentanamide Openeye Name: N-[2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]-2-methyl-pentanamide CAS Name: N-[2-[3-chloro-4-[(2-methylphenyl)-sulfanylidenemethyl]anilino]phenyl]-2-methylpentanamide IUPAC Name: N-[2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]-2-methylpentanamide Traditional Name: N-[2-[3-chloro-4-(2-methylthiobenzoyl)anilino]phenyl]-2-methyl-valeramide Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=CC=CC=C1NC2=CC(=C(C=C2)C(=S)C3=CC=CC=C3C)Cl

Isomeric SMILES

CCCC(C)C(=O)NC1=CC=CC=C1NC2=CC(=C(C=C2)C(=S)C3=CC=CC=C3C)Cl

InChI

InChI=1S/C26H27ClN2OS/c1-4-9-18(3)26(30)29-24-13-8-7-12-23(24)28-19-14-15-21(22(27)16-19)25(31)20-11-6-5-10-17(20)2/h5-8,10-16,18,28H,4,9H2,1-3H3,(H,29,30)