N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(phenylcarbonyl)benzamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(phenylcarbonyl)benzamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-benzoyl-benzamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-benzoylbenzamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-benzoylbenzamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-benzoyl-benzamide Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c28-22(18-10-4-3-5-11-18)20-12-6-7-13-21(20)23(29)26-24-25-19(17-30-24)16-27-14-8-1-2-9-15-27/h3-7,10-13,17H,1-2,8-9,14-16H2,(H,25,26,29)/p+1