2-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(5-methyl-2-thienyl)-2-oxo-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(5-methyl-2-thienyl)ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C22H26N3O3S2+ MolecularWeight: 444.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O3S2/c1-16-7-8-20(30-16)19(26)15-29-22-23-18-6-3-2-5-17(18)21(27)25(22)10-4-9-24-11-13-28-14-12-24/h2-3,5-8H,4,9-15H2,1H3/p+1