N-(4-butylphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[(6-piperidinopyrimidin-4-yl)thio]acetamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C21H28N4OS/c1-2-3-7-17-8-10-18(11-9-17)24-20(26)15-27-21-14-19(22-16-23-21)25-12-5-4-6-13-25/h8-11,14,16H,2-7,12-13,15H2,1H3,(H,24,26)