dimethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[4-oxo-2-[[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[4-oxo-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: 3-[2-[[2-(isopropylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C19H28N5O3S+ MolecularWeight: 406.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

Isomeric SMILES

CC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

InChI

InChI=1S/C19H27N5O3S/c1-13(2)20-18(27)22-16(25)12-28-19-21-15-9-6-5-8-14(15)17(26)24(19)11-7-10-23(3)4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H2,20,22,25,27)/p+1