N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

InChI

InChI=1S/C18H24N4O4S/c1-3-12(2)19-17(26)21-15(24)11-27-18-20-14-8-5-4-7-13(14)16(25)22(18)9-6-10-23/h4-5,7-8,12,23H,3,6,9-11H2,1-2H3,(H2,19,21,24,26)/t12-/m0/s1