N-ethyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-yl-cyclohexane-1-carbothioamide

Systemtic Name: N-ethyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-yl-cyclohexane-1-carbothioamide Openeye Name: N-ethyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-pyridyl)cyclohexanecarbothioamide CAS Name: N-ethyl-1-[4-(2-methoxyphenyl)-1-piperazinyl]-N-(2-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: N-ethyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylcyclohexane-1-carbothioamide Traditional Name: N-ethyl-1-[4-(2-methoxyphenyl)piperazino]-N-(2-pyridyl)cyclohexanecarbothioamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=N1)C(=S)C2(CCCCC2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCN(C1=CC=CC=N1)C(=S)C2(CCCCC2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H34N4OS/c1-3-29(23-13-7-10-16-26-23)24(31)25(14-8-4-9-15-25)28-19-17-27(18-20-28)21-11-5-6-12-22(21)30-2/h5-7,10-13,16H,3-4,8-9,14-15,17-20H2,1-2H3