2-[7-(butan-2-ylcarbamoyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[7-(butan-2-ylcarbamoyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: diethyl-[2-[4-oxo-7-(sec-butylcarbamoyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[7-[(butan-2-ylamino)-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-(butan-2-ylcarbamoyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: diethyl-[2-[4-keto-7-(sec-butylcarbamoyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C19H29N4O2S+ MolecularWeight: 377.52416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC[NH+](CC)CC

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC[NH+](CC)CC

InChI

InChI=1S/C19H28N4O2S/c1-5-13(4)20-17(24)14-8-9-15-16(12-14)21-19(26)23(18(15)25)11-10-22(6-2)7-3/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,20,24)(H,21,26)/p+1