N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C)C

InChI

InChI=1S/C21H23N3OS/c1-13-9-10-17(11-14(13)2)15(3)22-20(25)12-26-21-18-7-5-6-8-19(18)23-16(4)24-21/h5-11,15H,12H2,1-4H3,(H,22,25)/t15-/m0/s1