3-[6-oxidanylidene-6-(2-phenylpyrrolidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-oxidanylidene-6-(2-phenylpyrrolidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-(2-phenylpyrrolidin-1-yl)hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-(2-phenyl-1-pyrrolidinyl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-oxo-6-(2-phenylpyrrolidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-(2-phenylpyrrolidino)hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c28-22(26-17-9-14-21(26)18-10-3-1-4-11-18)15-5-2-8-16-27-23(29)19-12-6-7-13-20(19)25-24(27)30/h1,3-4,6-7,10-13,21H,2,5,8-9,14-17H2,(H,25,30)