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

Systemtic Name: 2-[7-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: diethyl-[2-[7-(homoveratrylcarbamoyl)-4-keto-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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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)OC)OC)NC1=S

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-5-28(6-2)13-14-29-24(31)19-9-8-18(16-20(19)27-25(29)34)23(30)26-12-11-17-7-10-21(32-3)22(15-17)33-4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,26,30)(H,27,34)/p+1