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

Systemtic Name: 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)NC1=S

InChI

InChI=1S/C23H32N4O2S/c1-3-26(4-2)14-15-27-22(29)19-11-10-18(16-20(19)25-23(27)30)21(28)24-13-12-17-8-6-5-7-9-17/h8,10-11,16H,3-7,9,12-15H2,1-2H3,(H,24,28)(H,25,30)/p+1