N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-butanamide CAS Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxobutanamide IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-keto-butyramide Formula: C29H36N5O2S+ MolecularWeight: 518.69344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H35N5O2S/c35-25(30-29-32-31-28(37-29)24-14-8-3-9-15-24)16-17-26(36)33-18-20-34(21-19-33)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,24,27H,3,8-9,14-21H2,(H,30,32,35)/p+1