4-(2-methylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-(2-methylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-(2-methylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[(2-methyl-4-quinazolinyl)thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-(2-methylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-4-[(2-methylquinazolin-4-yl)thio]butyramide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NC(=NC3=CC=CC=C32)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NC(=NC3=CC=CC=C32)C)C

InChI

InChI=1S/C22H25N3OS/c1-14-12-15(2)21(16(3)13-14)25-20(26)10-7-11-27-22-18-8-5-6-9-19(18)23-17(4)24-22/h5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,25,26)