N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N[C@H](C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O3S/c1-13(15-7-8-18-19(11-15)27-10-9-26-18)22-20(25)12-28-21-16-5-3-4-6-17(16)23-14(2)24-21/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1