N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(C)C(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(C)[C@H](C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS2/c1-13(20-24-17-10-6-7-11-18(17)28-20)25(3)19(26)12-27-21-15-8-4-5-9-16(15)22-14(2)23-21/h4-11,13H,12H2,1-3H3/t13-/m1/s1