methyl 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-24(2,3)26-20(28)15-32-23-25-19-14-17(22(30)31-4)10-11-18(19)21(29)27(23)13-12-16-8-6-5-7-9-16/h5-11,14H,12-13,15H2,1-4H3,(H,26,28)