5-(cyclohexylamino)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(cyclohexylamino)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(cyclohexylamino)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(cyclohexylamino)-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(cyclohexylamino)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(cyclohexylamino)-3-[[4-(2-methoxyphenyl)piperazino]methyl]-1,3,4-thiadiazole-2-thione Formula: C20H29N5OS2 MolecularWeight: 419.60716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)SC(=N3)NC4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)SC(=N3)NC4CCCCC4

InChI

InChI=1S/C20H29N5OS2/c1-26-18-10-6-5-9-17(18)24-13-11-23(12-14-24)15-25-20(27)28-19(22-25)21-16-7-3-2-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H,21,22)