methyl 4-oxidanylidene-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanyl-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanyl-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 3-benzyl-2-[1-methyl-2-oxo-2-(propylamino)ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]thio]-3-(phenylmethyl)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-4-oxo-2-[1-oxo-1-(propylamino)propan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-[[2-keto-1-methyl-2-(propylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-4-12-24-20(27)15(2)31-23-25-19-13-17(22(29)30-3)10-11-18(19)21(28)26(23)14-16-8-6-5-7-9-16/h5-11,13,15H,4,12,14H2,1-3H3,(H,24,27)