(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-methyl-4-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(2-methylquinazolin-4-yl)thio]-N-veratryl-propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@@H](C)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-13(28-21-16-7-5-6-8-17(16)23-14(2)24-21)20(25)22-12-15-9-10-18(26-3)19(11-15)27-4/h5-11,13H,12H2,1-4H3,(H,22,25)/t13-/m0/s1