N-(tert-butylcarbamoyl)-2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C20H27ClN4O3S/c1-11(2)10-25-17(27)14-9-13(21)7-8-15(14)22-19(25)29-12(3)16(26)23-18(28)24-20(4,5)6/h7-9,11-12H,10H2,1-6H3,(H2,23,24,26,28)