N-[[4-cyclohexyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-cyclohexyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-cyclohexyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-cyclohexyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-cyclohexyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-cyclohexyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C29H36N6O3S MolecularWeight: 548.69954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H36N6O3S/c1-38-25-14-12-22(13-15-25)28(37)30-20-26-31-32-29(35(26)24-10-6-3-7-11-24)39-21-27(36)34-18-16-33(17-19-34)23-8-4-2-5-9-23/h2,4-5,8-9,12-15,24H,3,6-7,10-11,16-21H2,1H3,(H,30,37)