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

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C24H23N4O2S2+ MolecularWeight: 463.59502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C24H22N4O2S2/c29-23(21-9-4-14-31-21)25-18-6-3-5-17(15-18)24(30)28-12-10-27(11-13-28)16-22-26-19-7-1-2-8-20(19)32-22/h1-9,14-15H,10-13,16H2,(H,25,29)/p+1