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

Systemtic Name: 2-[7-(3-ethoxypropylcarbamoyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-(3-ethoxypropylcarbamoyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[(3-ethoxypropylamino)-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-(3-ethoxypropylcarbamoyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[7-(3-ethoxypropylcarbamoyl)-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-4-23(5-2)11-12-24-19(26)16-9-8-15(14-17(16)22-20(24)28)18(25)21-10-7-13-27-6-3/h8-9,14H,4-7,10-13H2,1-3H3,(H,21,25)(H,22,28)/p+1