(2R)-N-(cyclopentylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(cyclopentylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(cyclopentylcarbamoyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(cyclopentylamino)-oxomethyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(cyclopentylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(cyclopentylcarbamoyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C21H28N4O3S/c1-13(2)12-25-19(27)16-10-6-7-11-17(16)23-21(25)29-14(3)18(26)24-20(28)22-15-8-4-5-9-15/h6-7,10-11,13-15H,4-5,8-9,12H2,1-3H3,(H2,22,24,26,28)/t14-/m1/s1