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

Systemtic Name: methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(2-phenylbutylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[2-oxo-2-(2-phenylbutylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[2-oxo-2-(2-phenylbutylamino)ethyl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[2-oxo-2-(2-phenylbutylamino)ethyl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-(2-phenylbutylamino)ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-3-17(18-9-5-4-6-10-18)15-25-21(28)16-32-24-26-20-12-8-7-11-19(20)23(30)27(24)14-13-22(29)31-2/h4-12,17H,3,13-16H2,1-2H3,(H,25,28)