2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C21H21ClN4O4S/c1-12(2)10-25-20(28)15-9-14(22)7-8-17(15)24-21(25)31-11-19(27)23-16-5-4-6-18(13(16)3)26(29)30/h4-9,12H,10-11H2,1-3H3,(H,23,27)