(2S)-N-(cyclopentylcarbamoyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(cyclopentylcarbamoyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(cyclopentylcarbamoyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(cyclopentylamino)-oxomethyl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(cyclopentylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(cyclopentylcarbamoyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C20H24N4O3S/c1-12(17(25)23-19(27)21-13-6-2-3-7-13)28-20-22-16-9-5-4-8-15(16)18(26)24(20)14-10-11-14/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H2,21,23,25,27)/t12-/m0/s1