(4S)-4-methyl-5-(2-quinazolin-4-ylsulfanylethanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-(2-quinazolin-4-ylsulfanylethanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-(2-quinazolin-4-ylsulfanylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-(4-quinazolinylthio)ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-(2-quinazolin-4-ylsulfanylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-(quinazolin-4-ylthio)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-13-10-18(25)23-16-8-4-5-9-17(16)24(13)19(26)11-27-20-14-6-2-3-7-15(14)21-12-22-20/h2-9,12-13H,10-11H2,1H3,(H,23,25)/t13-/m0/s1