dimethyl-[3-[4-oxidanylidene-2-[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[4-oxidanylidene-2-[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-[(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[4-oxo-2-[[(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: 3-[2-[[(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-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)NC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

InChI

InChI=1S/C20H29N5O3S/c1-13(2)21-19(28)23-17(26)14(3)29-20-22-16-10-7-6-9-15(16)18(27)25(20)12-8-11-24(4)5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H2,21,23,26,28)/p+1/t14-/m0/s1