2-[7-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[7-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4(CC3)OCCO4)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4(CC3)OCCO4)NC1=S

InChI

InChI=1S/C22H30N4O4S/c1-3-24(4-2)11-12-26-20(28)17-6-5-16(15-18(17)23-21(26)31)19(27)25-9-7-22(8-10-25)29-13-14-30-22/h5-6,15H,3-4,7-14H2,1-2H3,(H,23,31)/p+1