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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-3-26(4-2)10-9-24-21(28)16-6-7-17-18(12-16)25-23(32)27(22(17)29)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