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

Systemtic Name: N-[(4-nitrophenyl)carbamoyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C21H21N5O6S MolecularWeight: 471.48634

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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)N2CCCO

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H21N5O6S/c1-13(18(28)24-20(30)22-14-7-9-15(10-8-14)26(31)32)33-21-23-17-6-3-2-5-16(17)19(29)25(21)11-4-12-27/h2-3,5-10,13,27H,4,11-12H2,1H3,(H2,22,24,28,30)