2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(phenylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N5O2S/c27-19(24-21(28)22-16-6-2-1-3-7-16)14-25-10-12-26(13-11-25)15-20-23-17-8-4-5-9-18(17)29-20/h1-9H,10-15H2,(H2,22,24,27,28)/p+1