5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-N-(o-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]thio]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[2-(4-cyclohexylpiperazino)-2-keto-ethyl]thio]-N-(o-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H29N5O2S2 MolecularWeight: 459.62796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=NN=C(S2)SCC(=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=NN=C(S2)SCC(=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C22H29N5O2S2/c1-16-7-5-6-10-18(16)23-20(29)21-24-25-22(31-21)30-15-19(28)27-13-11-26(12-14-27)17-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9,11-15H2,1H3,(H,23,29)