methyl 4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-3-4-12-22-18(25)14-8-5-6-9-15(14)21-19(22)27-13-16(23)20-11-7-10-17(24)26-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,20,23)