dimethyl-[(1S)-2-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC=C)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c1-4-14-27-22(29)18-12-8-9-13-19(18)25-23(27)30-16-21(28)24-15-20(26(2)3)17-10-6-5-7-11-17/h4-13,20H,1,14-16H2,2-3H3,(H,24,28)/p+1/t20-/m1/s1