N,N-bis[(2S)-butan-2-yl]-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis[(2S)-butan-2-yl]-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N,N-bis[(1S)-1-methylpropyl]acetamide CAS Name: N,N-bis[(2S)-butan-2-yl]-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N,N-bis[(2S)-butan-2-yl]-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N,N-bis[(1S)-1-methylpropyl]acetamide Formula: C21H30ClN3O2S MolecularWeight: 423.9998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C)CC)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C(C)C

Isomeric SMILES

CC[C@H](C)N([C@@H](C)CC)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C(C)C

InChI

InChI=1S/C21H30ClN3O2S/c1-7-14(5)25(15(6)8-2)19(26)12-28-21-23-18-11-16(22)9-10-17(18)20(27)24(21)13(3)4/h9-11,13-15H,7-8,12H2,1-6H3/t14-,15-/m0/s1