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

Systemtic Name: 2-[7-[2-(diethylazaniumyl)ethylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-[2-(diethylammonio)ethylcarbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[[2-(diethylammonio)ethylamino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-[2-(diethylazaniumyl)ethylcarbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-[2-(diethylammonio)ethylcarbamoyl]-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C21H35N5O2S+2 MolecularWeight: 421.5999

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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)CC[NH+](CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5O2S/c1-5-24(6-2)12-11-22-19(27)16-9-10-17-18(15-16)23-21(29)26(20(17)28)14-13-25(7-3)8-4/h9-10,15H,5-8,11-14H2,1-4H3,(H,22,27)(H,23,29)/p+2