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

Systemtic Name: 3-ethyl-7-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-ethyl-7-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-ethyl-7-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-ethyl-7-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-ethyl-7-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCCC3C4=CC=C(C=C4)OC)NC1=S

InChI

InChI=1S/C24H27N3O3S/c1-3-26-23(29)19-13-10-17(15-20(19)25-24(26)31)22(28)27-14-6-4-5-7-21(27)16-8-11-18(30-2)12-9-16/h8-13,15,21H,3-7,14H2,1-2H3,(H,25,31)