dimethyl-[3-[2-[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[2-[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-[2-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: dimethyl-[3-[2-[[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]thio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: 3-[4-keto-2-[[(1R)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

CNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C23H27N5O3S/c1-24-22(31)26-20(29)19(16-10-5-4-6-11-16)32-23-25-18-13-8-7-12-17(18)21(30)28(23)15-9-14-27(2)3/h4-8,10-13,19H,9,14-15H2,1-3H3,(H2,24,26,29,31)/p+1/t19-/m1/s1