1-(3-phenylsulfanylpropyl)-3-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]urea

Systemtic Name: 1-(3-phenylsulfanylpropyl)-3-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]urea Openeye Name: 1-(3-phenylsulfanylpropyl)-3-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]urea CAS Name: 1-[3-(phenylthio)propyl]-3-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-(3-phenylsulfanylpropyl)-3-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]urea Traditional Name: 1-[3-(phenylthio)propyl]-3-[(6-pyrrolidino-3-pyridyl)methyl]urea Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS/c25-20(21-11-6-14-26-18-7-2-1-3-8-18)23-16-17-9-10-19(22-15-17)24-12-4-5-13-24/h1-3,7-10,15H,4-6,11-14,16H2,(H2,21,23,25)