(2R)-N-(2-chloranyl-4-nitro-phenyl)-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-chloranyl-4-nitro-phenyl)-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN4O5S/c1-3-32-12-6-11-26-21(29)16-7-4-5-8-18(16)25-22(26)33-14(2)20(28)24-19-10-9-15(27(30)31)13-17(19)23/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3,(H,24,28)/t14-/m1/s1