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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[3-[3-(diethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-[3-(diethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[3-[3-(diethylamino)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[3-(diethylamino)propyl]-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN(CC)CC

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN(CC)CC

InChI

InChI=1S/C21H32N4O2S/c1-5-16(4)22-19(26)15-28-21-23-18-12-9-8-11-17(18)20(27)25(21)14-10-13-24(6-2)7-3/h8-9,11-12,16H,5-7,10,13-15H2,1-4H3,(H,22,26)/t16-/m0/s1