(2R)-1-(azepan-1-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(2-methyl-4-quinazolinyl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[(2-methylquinazolin-4-yl)thio]propan-1-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3OS/c1-13(18(22)21-11-7-3-4-8-12-21)23-17-15-9-5-6-10-16(15)19-14(2)20-17/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3/t13-/m1/s1