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

Systemtic Name: 3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]propyl]ammonium Formula: C24H29N4O4S+ MolecularWeight: 469.57646

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N4O4S/c1-3-27(4-2)11-5-10-25-22(29)17-7-8-18-19(13-17)26-24(33)28(23(18)30)14-16-6-9-20-21(12-16)32-15-31-20/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,25,29)(H,26,33)/p+1