2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C24H27ClN4O6S MolecularWeight: 535.01238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H27ClN4O6S/c1-14(2)35-11-5-10-28-23(31)18-8-6-16(25)12-19(18)27-24(28)36-15(3)22(30)26-20-13-17(29(32)33)7-9-21(20)34-4/h6-9,12-15H,5,10-11H2,1-4H3,(H,26,30)