4-isothiocyanato-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-yl-benzamide

Systemtic Name: 4-isothiocyanato-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-yl-benzamide Openeye Name: 4-isothiocyanato-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-pyridyl)benzamide CAS Name: 4-isothiocyanato-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-pyridinyl)benzamide IUPAC Name: 4-isothiocyanato-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide Traditional Name: 4-isothiocyanato-N-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-N-(2-pyridyl)benzamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)N=C=S

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C26H27N5O2S/c1-33-24-7-3-2-6-23(24)30-17-14-29(15-18-30)16-19-31(25-8-4-5-13-27-25)26(32)21-9-11-22(12-10-21)28-20-34/h2-13H,14-19H2,1H3