4-oxidanylidene-2-[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl]sulfanyl-3-prop-2-enyl-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-2-[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl]sulfanyl-3-prop-2-enyl-quinazoline-7-carboxylate Openeye Name: 3-allyl-4-oxo-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(2-phenylanilino)ethyl]thio]-3-prop-2-enyl-7-quinazolinecarboxylate IUPAC Name: 4-oxo-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanyl-3-prop-2-enylquinazoline-7-carboxylate Traditional Name: 3-allyl-4-keto-2-[[2-keto-2-(2-phenylanilino)ethyl]thio]quinazoline-7-carboxylate Formula: C26H20N3O4S- MolecularWeight: 470.5197

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)[O-])N=C1SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O4S/c1-2-14-29-24(31)20-13-12-18(25(32)33)15-22(20)28-26(29)34-16-23(30)27-21-11-7-6-10-19(21)17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,27,30)(H,32,33)/p-1