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

Systemtic Name: 3-[6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[2-(4-chlorophenyl)-1-pyrrolidinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[2-(4-chlorophenyl)pyrrolidino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H26ClN3O2S MolecularWeight: 456.00014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O2S/c25-18-13-11-17(12-14-18)21-9-6-16-27(21)22(29)10-2-1-5-15-28-23(30)19-7-3-4-8-20(19)26-24(28)31/h3-4,7-8,11-14,21H,1-2,5-6,9-10,15-16H2,(H,26,31)