N-(2-chloranyl-4-nitro-phenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O4S/c1-11(18(26)22-17-9-8-13(25(28)29)10-15(17)21)30-20-23-16-5-3-2-4-14(16)19(27)24(20)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,22,26)