N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-benzyl-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-benzyl-2-keto-ethyl]-2-furamide Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C(CC4=CC=CC=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)[C@@H](CC4=CC=CC=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C26H26N4O3S/c31-25(22-10-6-16-33-22)28-21(17-19-7-2-1-3-8-19)26(32)30-14-12-29(13-15-30)18-24-27-20-9-4-5-11-23(20)34-24/h1-11,16,21H,12-15,17-18H2,(H,28,31)/p+1/t21-/m1/s1