3-methyl-4-oxidanylidene-N-(2-quinolin-8-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(2-quinolin-8-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-(8-quinolyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(8-quinolinyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-(2-quinolin-8-ylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-(8-quinolyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC4=C3N=CC=C4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC4=C3N=CC=C4)NC1=S

InChI

InChI=1S/C21H18N4O2S/c1-25-20(27)16-8-7-15(12-17(16)24-21(25)28)19(26)23-11-9-14-5-2-4-13-6-3-10-22-18(13)14/h2-8,10,12H,9,11H2,1H3,(H,23,26)(H,24,28)