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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)NC(=O)CCC(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)NC(=O)CCC(C)C)Cl

InChI

InChI=1S/C26H26BrClN2OS/c1-16(2)8-13-25(31)30-24-14-18(27)9-12-23(24)29-19-10-11-21(22(28)15-19)26(32)20-7-5-4-6-17(20)3/h4-7,9-12,14-16,29H,8,13H2,1-3H3,(H,30,31)