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

Systemtic Name: 5-[2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=C(C=C(C=C4)C)C(=O)N3C

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=C(C=C(C=C4)C)C(=O)N3C

InChI

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