N-(3-chloranyl-4-methyl-phenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C23H25ClN2OS MolecularWeight: 412.9754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C

InChI

InChI=1S/C23H25ClN2OS/c1-6-20(23(27)25-17-8-7-14(3)19(24)12-17)28-21-11-15(4)18-10-13(2)9-16(5)22(18)26-21/h7-12,20H,6H2,1-5H3,(H,25,27)