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

Systemtic Name: 7-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

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