3-methyl-7-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-methyl-7-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methyl-2-thioxo-1H-quinazolin-4-one CAS Name: 3-methyl-7-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methyl-2-thioxo-1H-quinazolin-4-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)NC1=S

InChI

InChI=1S/C22H24N4O2S/c1-24-21(28)18-9-8-17(14-19(18)23-22(24)29)20(27)26-11-5-10-25(12-13-26)15-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,23,29)