N-(6-azanylhexyl)-5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide

Systemtic Name: N-(6-azanylhexyl)-5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-pentanamide Openeye Name: N-(6-aminohexyl)-5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-pentanamide CAS Name: N-(6-aminohexyl)-5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]pentanamide IUPAC Name: N-(6-aminohexyl)-5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanamide Traditional Name: N-(6-aminohexyl)-5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]valeramide Formula: C25H31ClN4O2S MolecularWeight: 487.05724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCCCCCN)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NCCCCCCN)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H31ClN4O2S/c26-19-10-9-11-20(18-19)30-24(32)21-12-3-4-13-22(21)29-25(30)33-17-8-5-14-23(31)28-16-7-2-1-6-15-27/h3-4,9-13,18H,1-2,5-8,14-17,27H2,(H,28,31)