(2S)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-(isopropylcarbamoyl)propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-13(2)22-20(28)24-18(26)14(3)29-21-23-17-12-8-7-11-16(17)19(27)25(21)15-9-5-4-6-10-15/h7-8,11-15H,4-6,9-10H2,1-3H3,(H2,22,24,26,28)/t14-/m0/s1