N-(2-chloranyl-4-nitro-phenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]propionamide Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O5S/c1-12(11-31-3)25-20(28)15-6-4-5-7-17(15)24-21(25)32-13(2)19(27)23-18-9-8-14(26(29)30)10-16(18)22/h4-10,12-13H,11H2,1-3H3,(H,23,27)