5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-pentanamide

Systemtic Name: 5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-pentanamide Openeye Name: 5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclohexyl-pentanamide CAS Name: 5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclohexylpentanamide IUPAC Name: 5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpentanamide Traditional Name: 5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclohexyl-valeramide Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CCCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H28ClN3O2S/c26-18-9-8-12-20(17-18)29-24(31)21-13-4-5-14-22(21)28-25(29)32-16-7-6-15-23(30)27-19-10-2-1-3-11-19/h4-5,8-9,12-14,17,19H,1-3,6-7,10-11,15-16H2,(H,27,30)