(4S)-4-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-[(2-methylquinazolin-4-yl)thio]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H20N4O2S/c1-13-11-19(26)24-17-9-5-6-10-18(17)25(13)20(27)12-28-21-15-7-3-4-8-16(15)22-14(2)23-21/h3-10,13H,11-12H2,1-2H3,(H,24,26)/t13-/m0/s1