3-[2-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C21H25N3O2S2/c1-14-12-17(15(2)28-14)19(25)13-27-21-22-18-9-6-5-8-16(18)20(26)24(21)11-7-10-23(3)4/h5-6,8-9,12H,7,10-11,13H2,1-4H3/p+1