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

Systemtic Name: N-[(4-nitrophenyl)carbamoyl]-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-[(4-nitrophenyl)carbamoyl]-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(4-nitroanilino)-oxomethyl]-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-[(4-nitrophenyl)carbamoyl]-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C23H23N5O6S MolecularWeight: 497.52362

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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)N2CC4CCCO4

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C23H23N5O6S/c1-14(20(29)26-22(31)24-15-8-10-16(11-9-15)28(32)33)35-23-25-19-7-3-2-6-18(19)21(30)27(23)13-17-5-4-12-34-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H2,24,26,29,31)