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

Systemtic Name: 4-methyl-5-[2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 4-methyl-5-[2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-[2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[[4-keto-3-(4-methylbenzyl)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)N3CC5=CC=C(C=C5)C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)C

InChI

InChI=1S/C28H26N4O3S/c1-18-11-13-20(14-12-18)16-31-27(35)21-7-3-4-8-22(21)30-28(31)36-17-26(34)32-19(2)15-25(33)29-23-9-5-6-10-24(23)32/h3-14,19H,15-17H2,1-2H3,(H,29,33)