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

Systemtic Name: dimethyl-[3-[2-[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-[2-(isobutylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[2-[[2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: 3-[2-[[2-(isobutylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-14(2)12-21-19(28)23-17(26)13-29-20-22-16-9-6-5-8-15(16)18(27)25(20)11-7-10-24(3)4/h5-6,8-9,14H,7,10-13H2,1-4H3,(H2,21,23,26,28)/p+1