N-(ethylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(ethylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-[(1R)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide CAS Name: N-(ethylcarbamoyl)-2-[[3-[(2R)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(ethylcarbamoyl)-2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[(1R)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]-N-(ethylcarbamoyl)acetamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C(C)CCCC(C)C

Isomeric SMILES

CCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1[C@H](C)CCCC(C)C

InChI

InChI=1S/C21H30N4O3S/c1-5-22-20(28)24-18(26)13-29-21-23-17-12-7-6-11-16(17)19(27)25(21)15(4)10-8-9-14(2)3/h6-7,11-12,14-15H,5,8-10,13H2,1-4H3,(H2,22,24,26,28)/t15-/m1/s1