2-[7-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[7-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[7-chloro-3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[7-chloro-3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[7-chloro-3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c1-3-4-13(2)24-19(27)12-29-21-25-18-11-15(23)7-10-17(18)20(28)26(21)16-8-5-14(22)6-9-16/h5-11,13H,3-4,12H2,1-2H3,(H,24,27)/t13-/m0/s1