N-[3-methoxy-1-(3-pyrimidin-2-ylsulfanylpropyl)piperidin-4-yl]benzamide hydrate

Systemtic Name: N-[3-methoxy-1-(3-pyrimidin-2-ylsulfanylpropyl)piperidin-4-yl]benzamide hydrate Openeye Name: N-[3-methoxy-1-(3-pyrimidin-2-ylsulfanylpropyl)-4-piperidyl]benzamide hydrate CAS Name: N-[3-methoxy-1-[3-(2-pyrimidinylthio)propyl]-4-piperidinyl]benzamide hydrate IUPAC Name: N-[3-methoxy-1-(3-pyrimidin-2-ylsulfanylpropyl)piperidin-4-yl]benzamide hydrate Traditional Name: N-[3-methoxy-1-[3-(2-pyrimidylthio)propyl]-4-piperidyl]benzamide hydrate Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC=CC=C2)CCCSC3=NC=CC=N3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC=CC=C2)CCCSC3=NC=CC=N3.O

InChI

InChI=1S/C20H26N4O2S.H2O/c1-26-18-15-24(12-6-14-27-20-21-10-5-11-22-20)13-9-17(18)23-19(25)16-7-3-2-4-8-16;/h2-5,7-8,10-11,17-18H,6,9,12-15H2,1H3,(H,23,25);1H2