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

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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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)N2C4CC4

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H19N5O5S/c1-12(18(27)24-20(29)22-13-6-8-15(9-7-13)26(30)31)32-21-23-17-5-3-2-4-16(17)19(28)25(21)14-10-11-14/h2-9,12,14H,10-11H2,1H3,(H2,22,24,27,29)