3-[2-(cyclohexen-1-yl)ethyl]-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[2-(diethylammonio)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-7-[[2-(diethylammonio)ethylamino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[2-(diethylammonio)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CCC3=CCCCC3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CCC3=CCCCC3

InChI

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