N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-benzyl-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-benzyl-2-keto-ethyl]benzamide Formula: C28H29N4O2S+ MolecularWeight: 485.62046

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O2S/c33-27(22-11-5-2-6-12-22)30-24(19-21-9-3-1-4-10-21)28(34)32-17-15-31(16-18-32)20-26-29-23-13-7-8-14-25(23)35-26/h1-14,24H,15-20H2,(H,30,33)/p+1/t24-/m0/s1