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

Systemtic Name: N-butan-2-yl-5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide Openeye Name: 5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-sec-butyl-pentanamide CAS Name: N-butan-2-yl-5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]pentanamide IUPAC Name: N-butan-2-yl-5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide Traditional Name: 5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-sec-butyl-valeramide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C)NC(=O)CCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H26ClN3O2S/c1-3-16(2)25-21(28)13-6-7-14-30-23-26-20-12-5-4-11-19(20)22(29)27(23)18-10-8-9-17(24)15-18/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3,(H,25,28)