methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2-phenylbutylamino)ethyl]sulfanyl-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2-phenylbutylamino)ethyl]sulfanyl-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(2-phenylbutylamino)ethyl]sulfanyl-quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(2-phenylbutylamino)ethyl]thio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(2-phenylbutylamino)ethyl]sulfanylquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(2-phenylbutylamino)ethyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-3-16(17-9-5-4-6-10-17)13-24-20(27)15-31-23-25-19-12-8-7-11-18(19)22(29)26(23)14-21(28)30-2/h4-12,16H,3,13-15H2,1-2H3,(H,24,27)