diethyl-[2-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl]azanium Openeye Name: diethyl-[2-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]ethyl]ammonium CAS Name: diethyl-[2-[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]ethyl]azanium Traditional Name: diethyl-[2-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]ethyl]ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C20H30N4O2S/c1-3-23(4-2)15-13-21-18(25)12-6-5-9-14-24-19(26)16-10-7-8-11-17(16)22-20(24)27/h7-8,10-11H,3-6,9,12-15H2,1-2H3,(H,21,25)(H,22,27)/p+1