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

Systemtic Name: 3-[[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]propyl-diethyl-ammonium Formula: C24H35N4O2S+ MolecularWeight: 443.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CCCCC3

InChI

InChI=1S/C24H34N4O2S/c1-3-27(4-2)15-8-14-25-22(29)19-11-12-20-21(17-19)26-24(31)28(23(20)30)16-13-18-9-6-5-7-10-18/h9,11-12,17H,3-8,10,13-16H2,1-2H3,(H,25,29)(H,26,31)/p+1