N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-(4-phenethyl-1-piperazin-4-iumyl)butanamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-(4-phenethylpiperazin-4-ium-1-yl)butanamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-keto-4-(4-phenethylpiperazin-4-ium-1-yl)butyramide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2S/c1-17(2)16-20-24-25-22(30-20)23-19(28)8-9-21(29)27-14-12-26(13-15-27)11-10-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3,(H,23,25,28)/p+1