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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H28N4O6S/c1-15(2)34-13-7-12-27-23(30)18-8-5-6-9-19(18)26-24(27)35-16(3)22(29)25-20-14-17(28(31)32)10-11-21(20)33-4/h5-6,8-11,14-16H,7,12-13H2,1-4H3,(H,25,29)