(4R)-5-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4R)-5-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4R)-5-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4R)-5-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4R)-5-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4R)-5-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3C(CC(=O)NC4=CC=CC=C43)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3[C@@H](CC(=O)NC4=CC=CC=C43)C

InChI

InChI=1S/C22H22N4O3S/c1-3-25-21(29)15-8-4-5-9-16(15)24-22(25)30-13-20(28)26-14(2)12-19(27)23-17-10-6-7-11-18(17)26/h4-11,14H,3,12-13H2,1-2H3,(H,23,27)/t14-/m1/s1