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

Systemtic Name: dimethyl-[3-[2-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-[2-[2-(o-tolylmethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: dimethyl-[3-[2-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: 3-[4-keto-2-[[2-keto-2-[(2-methylbenzyl)amino]ethyl]thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C23H28N4O2S/c1-17-9-4-5-10-18(17)15-24-21(28)16-30-23-25-20-12-7-6-11-19(20)22(29)27(23)14-8-13-26(2)3/h4-7,9-12H,8,13-16H2,1-3H3,(H,24,28)/p+1