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

Systemtic Name: 2-[7-[2-(4-chlorophenyl)ethylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-[2-(4-chlorophenyl)ethylcarbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-[2-(4-chlorophenyl)ethylcarbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-[2-(4-chlorophenyl)ethylcarbamoyl]-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C23H28ClN4O2S+ MolecularWeight: 460.01202

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl)NC1=S

InChI

InChI=1S/C23H27ClN4O2S/c1-3-27(4-2)13-14-28-22(30)19-10-7-17(15-20(19)26-23(28)31)21(29)25-12-11-16-5-8-18(24)9-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,29)(H,26,31)/p+1