(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]propan-1-one Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c1-3-24-10-12-25(13-11-24)21(26)15(2)28-20-16-7-4-5-8-17(16)22-19(23-20)18-9-6-14-27-18/h4-9,14-15H,3,10-13H2,1-2H3/p+1/t15-/m0/s1