methyl 3-[2-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C19H24N4O5S/c1-4-12(2)20-18(27)22-15(24)11-29-19-21-14-8-6-5-7-13(14)17(26)23(19)10-9-16(25)28-3/h5-8,12H,4,9-11H2,1-3H3,(H2,20,22,24,27)/t12-/m0/s1