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

Systemtic Name: 2-[7-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[7-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxo-2-thioxo-1H-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[7-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[7-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl-diethylazanium Traditional Name: diethyl-[2-[4-keto-7-(piperonylcarbamoyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)NC1=S

InChI

InChI=1S/C23H26N4O4S/c1-3-26(4-2)9-10-27-22(29)17-7-6-16(12-18(17)25-23(27)32)21(28)24-13-15-5-8-19-20(11-15)31-14-30-19/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,24,28)(H,25,32)/p+1