2-[7-(3,5-dimethylpiperidin-1-yl)carbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[7-(3,5-dimethylpiperidin-1-yl)carbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-(3,5-dimethylpiperidine-1-carbonyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-(3,5-dimethylpiperidine-1-carbonyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-(3,5-dimethylpiperidine-1-carbonyl)-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC(CC(C3)C)C)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC(CC(C3)C)C)NC1=S

InChI

InChI=1S/C22H32N4O2S/c1-5-24(6-2)9-10-26-21(28)18-8-7-17(12-19(18)23-22(26)29)20(27)25-13-15(3)11-16(4)14-25/h7-8,12,15-16H,5-6,9-11,13-14H2,1-4H3,(H,23,29)/p+1