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

Systemtic Name: methyl 3-[4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(isopropylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

CC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C18H22N4O5S/c1-11(2)19-17(26)21-14(23)10-28-18-20-13-7-5-4-6-12(13)16(25)22(18)9-8-15(24)27-3/h4-7,11H,8-10H2,1-3H3,(H2,19,21,23,26)