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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-4-(1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butyramide Formula: C21H27N4OS2+ MolecularWeight: 415.59528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H26N4OS2/c26-19(10-7-11-20-23-17-8-3-4-9-18(17)28-20)24-21-22-16(15-27-21)14-25-12-5-1-2-6-13-25/h3-4,8-9,15H,1-2,5-7,10-14H2,(H,22,24,26)/p+1