ethyl 4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H30N4O4S/c1-3-5-12-26-20(28)17-8-6-7-9-18(17)24-21(26)31-15-19(27)23-16-10-13-25(14-11-16)22(29)30-4-2/h6-9,16H,3-5,10-15H2,1-2H3,(H,23,27)