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

Systemtic Name: N-[3-methoxy-1-(3-pyridin-4-ylsulfanylpropyl)piperidin-4-yl]benzamide hydrate Openeye Name: N-[3-methoxy-1-[3-(4-pyridylsulfanyl)propyl]-4-piperidyl]benzamide hydrate CAS Name: N-[3-methoxy-1-[3-(pyridin-4-ylthio)propyl]-4-piperidinyl]benzamide hydrate IUPAC Name: N-[3-methoxy-1-(3-pyridin-4-ylsulfanylpropyl)piperidin-4-yl]benzamide hydrate Traditional Name: N-[3-methoxy-1-[3-(4-pyridylthio)propyl]-4-piperidyl]benzamide hydrate Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC=CC=C2)CCCSC3=CC=NC=C3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC=CC=C2)CCCSC3=CC=NC=C3.O

InChI

InChI=1S/C21H27N3O2S.H2O/c1-26-20-16-24(13-5-15-27-18-8-11-22-12-9-18)14-10-19(20)23-21(25)17-6-3-2-4-7-17;/h2-4,6-9,11-12,19-20H,5,10,13-16H2,1H3,(H,23,25);1H2