2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide

Systemtic Name: 2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C22H23N5O6S MolecularWeight: 485.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C22H23N5O6S/c1-14(19(28)25-21(30)23-15-8-10-16(11-9-15)27(31)32)34-22-24-18-7-4-3-6-17(18)20(29)26(22)12-5-13-33-2/h3-4,6-11,14H,5,12-13H2,1-2H3,(H2,23,25,28,30)