1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C21H22N5O2S2+ MolecularWeight: 440.56168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C21H21N5O2S2/c27-20(8-7-18-23-21(24-28-18)17-6-3-13-29-17)26-11-9-25(10-12-26)14-19-22-15-4-1-2-5-16(15)30-19/h1-6,13H,7-12,14H2/p+1