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

Systemtic Name: diethyl-[2-[[3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[3-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[[3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[3-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl]ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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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=CC=CO3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3

InChI

InChI=1S/C20H24N4O3S/c1-3-23(4-2)10-9-21-18(25)14-7-8-16-17(12-14)22-20(28)24(19(16)26)13-15-6-5-11-27-15/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,21,25)(H,22,28)/p+1