2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]ethanamide

Systemtic Name: 2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]ethanamide Openeye Name: 2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide CAS Name: 2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-[(1R)-1-cyclopropylethyl]acetamide IUPAC Name: 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide Traditional Name: 2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1-cyclopropylethyl]acetamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

Isomeric SMILES

C[C@H](C1CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCCC4

InChI

InChI=1S/C21H26ClN3O2S/c1-13(14-7-8-14)23-19(26)12-28-21-24-18-11-15(22)9-10-17(18)20(27)25(21)16-5-3-2-4-6-16/h9-11,13-14,16H,2-8,12H2,1H3,(H,23,26)/t13-/m1/s1