methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4S/c1-32-24(31)18-12-13-20-21(14-18)27-25(28(23(20)30)19-10-6-3-7-11-19)33-16-22(29)26-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3,(H,26,29)