N-[3-methoxy-1-(2-pyridin-4-ylsulfanylethyl)piperidin-4-yl]benzamide hydrate

Systemtic Name: N-[3-methoxy-1-(2-pyridin-4-ylsulfanylethyl)piperidin-4-yl]benzamide hydrate Openeye Name: N-[3-methoxy-1-[2-(4-pyridylsulfanyl)ethyl]-4-piperidyl]benzamide hydrate CAS Name: N-[3-methoxy-1-[2-(pyridin-4-ylthio)ethyl]-4-piperidinyl]benzamide hydrate IUPAC Name: N-[3-methoxy-1-(2-pyridin-4-ylsulfanylethyl)piperidin-4-yl]benzamide hydrate Traditional Name: N-[3-methoxy-1-[2-(4-pyridylthio)ethyl]-4-piperidyl]benzamide hydrate Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC=CC=C2)CCSC3=CC=NC=C3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC=CC=C2)CCSC3=CC=NC=C3.O

InChI

InChI=1S/C20H25N3O2S.H2O/c1-25-19-15-23(13-14-26-17-7-10-21-11-8-17)12-9-18(19)22-20(24)16-5-3-2-4-6-16;/h2-8,10-11,18-19H,9,12-15H2,1H3,(H,22,24);1H2