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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)NC1=CC=CC=C1)NC2=CC(=C(C=C2)C(=S)C3=CC=CC=C3C)Cl

Isomeric SMILES

CCCC(C)(C(=O)NC1=CC=CC=C1)NC2=CC(=C(C=C2)C(=S)C3=CC=CC=C3C)Cl

InChI

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