3-butyl-2-piperidin-4-yl-4-pyrimidin-2-ylsulfanyl-benzamide

Systemtic Name: 3-butyl-2-piperidin-4-yl-4-pyrimidin-2-ylsulfanyl-benzamide Openeye Name: 3-butyl-2-(4-piperidyl)-4-pyrimidin-2-ylsulfanyl-benzamide CAS Name: 3-butyl-2-(4-piperidinyl)-4-(2-pyrimidinylthio)benzamide IUPAC Name: 3-butyl-2-piperidin-4-yl-4-pyrimidin-2-ylsulfanylbenzamide Traditional Name: 3-butyl-2-(4-piperidyl)-4-(2-pyrimidylthio)benzamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1C2CCNCC2)C(=O)N)SC3=NC=CC=N3

Isomeric SMILES

CCCCC1=C(C=CC(=C1C2CCNCC2)C(=O)N)SC3=NC=CC=N3

InChI

InChI=1S/C20H26N4OS/c1-2-3-5-15-17(26-20-23-10-4-11-24-20)7-6-16(19(21)25)18(15)14-8-12-22-13-9-14/h4,6-7,10-11,14,22H,2-3,5,8-9,12-13H2,1H3,(H2,21,25)