3-ethyl-7-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-ethyl-7-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-ethyl-7-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-ethyl-7-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-ethyl-7-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-ethyl-7-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCCC3C4=CC=CN4C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCCC3C4=CC=CN4C)NC1=S

InChI

InChI=1S/C22H26N4O2S/c1-3-25-21(28)16-11-10-15(14-17(16)23-22(25)29)20(27)26-13-6-4-5-8-19(26)18-9-7-12-24(18)2/h7,9-12,14,19H,3-6,8,13H2,1-2H3,(H,23,29)