N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCC3

InChI

InChI=1S/C20H26N4O3S/c1-3-13(2)21-19(27)23-17(25)12-28-20-22-16-11-7-6-10-15(16)18(26)24(20)14-8-4-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H2,21,23,25,27)/t13-/m0/s1