N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]furan-2-carboxamide

Systemtic Name: N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]furan-2-carboxamide Openeye Name: N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-furamide Formula: C24H23N4O3S+ MolecularWeight: 447.52942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3S/c29-23(20-5-3-15-31-20)25-18-9-7-17(8-10-18)24(30)28-13-11-27(12-14-28)16-22-26-19-4-1-2-6-21(19)32-22/h1-10,15H,11-14,16H2,(H,25,29)/p+1