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

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide Openeye Name: (2R)-N-(cyclopentylcarbamoyl)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-[(cyclopentylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide Traditional Name: (2R)-N-(cyclopentylcarbamoyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H28N4O3S/c1-4-13(2)25-19(27)16-11-7-8-12-17(16)23-21(25)29-14(3)18(26)24-20(28)22-15-9-5-6-10-15/h7-8,11-15H,4-6,9-10H2,1-3H3,(H2,22,24,26,28)/t13-,14+/m0/s1