N-[5-bromanyl-2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]phenyl]hexanamide

Systemtic Name: N-[5-bromanyl-2-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]phenyl]hexanamide Openeye Name: N-[5-bromo-2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]hexanamide CAS Name: N-[5-bromo-2-[3-chloro-4-[(2-methylphenyl)-sulfanylidenemethyl]anilino]phenyl]hexanamide IUPAC Name: N-[5-bromo-2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]hexanamide Traditional Name: N-[5-bromo-2-[3-chloro-4-(2-methylthiobenzoyl)anilino]phenyl]hexanamide Formula: C26H26BrClN2OS MolecularWeight: 529.91944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrClN2OS/c1-3-4-5-10-25(31)30-24-15-18(27)11-14-23(24)29-19-12-13-21(22(28)16-19)26(32)20-9-7-6-8-17(20)2/h6-9,11-16,29H,3-5,10H2,1-2H3,(H,30,31)