(2R)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2R)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2R)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(isopropylcarbamoyl)propanamide CAS Name: (2R)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2R)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2R)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(isopropylcarbamoyl)propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NC(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC(=O)NC(C)C

InChI

InChI=1S/C21H30N4O3S/c1-5-6-7-10-13-25-19(27)16-11-8-9-12-17(16)23-21(25)29-15(4)18(26)24-20(28)22-14(2)3/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3,(H2,22,24,26,28)/t15-/m1/s1