N-(2-methoxy-5-nitro-phenyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H26N4O5S/c1-16(2)19-9-6-8-12-23(19)30-26(33)20-10-5-7-11-21(20)29-27(30)37-17(3)25(32)28-22-15-18(31(34)35)13-14-24(22)36-4/h5-17H,1-4H3,(H,28,32)