1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H21N3OS2/c1-14-11-12-24(18-9-5-6-10-19(18)27-14)20(25)13-26-21-16-7-3-4-8-17(16)22-15(2)23-21/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1