N-butyl-4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-butyl-4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-butyl-4-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-butyl-4-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butyl-4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-butyl-4-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

InChI

InChI=1S/C22H29ClN4OS/c1-3-4-11-24-21(28)18-7-5-17(6-8-18)15-29-22-25-19(23)14-20(26-22)27-12-9-16(2)10-13-27/h5-8,14,16H,3-4,9-13,15H2,1-2H3,(H,24,28)