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

Systemtic Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C21H22N5O3S2+ MolecularWeight: 456.56108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)OC(=N4)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)OC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H21N5O3S2/c27-19(7-8-26-21(28)29-20(23-26)17-6-3-13-30-17)25-11-9-24(10-12-25)14-18-22-15-4-1-2-5-16(15)31-18/h1-6,13H,7-12,14H2/p+1