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

Systemtic Name: 2-[[3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[3-(3-ethoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-diethyl-ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOCC

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCOCC

InChI

InChI=1S/C20H30N4O3S/c1-4-23(5-2)12-10-21-18(25)15-8-9-16-17(14-15)22-20(28)24(19(16)26)11-7-13-27-6-3/h8-9,14H,4-7,10-13H2,1-3H3,(H,21,25)(H,22,28)/p+1