2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[[(2S)-4-(phenylmethyl)morpholin-2-yl]methyl]ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[[(2S)-4-(phenylmethyl)morpholin-2-yl]methyl]ethanamide Openeye Name: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[[(2S)-4-(phenylmethyl)-2-morpholinyl]methyl]acetamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3CN(CCO3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC[C@H]3CN(CCO3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3S/c1-2-3-13-30-25(32)22-11-7-8-12-23(22)28-26(30)34-19-24(31)27-16-21-18-29(14-15-33-21)17-20-9-5-4-6-10-20/h4-12,21H,2-3,13-19H2,1H3,(H,27,31)/t21-/m0/s1