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

Systemtic Name: dimethyl-[(1S)-2-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C23H28N4O2S/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/h5-13,20H,4,14-16H2,1-3H3,(H,24,28)/p+1/t20-/m1/s1