5-[2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=CC=C5C)C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=CC=C5C)C

InChI

InChI=1S/C28H26N4O3S/c1-17-9-8-10-18(2)26(17)32-27(35)20-11-4-5-12-21(20)30-28(32)36-16-25(34)31-19(3)15-24(33)29-22-13-6-7-14-23(22)31/h4-14,19H,15-16H2,1-3H3,(H,29,33)