N-propan-2-yl-2-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-propan-2-yl-2-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-isopropyl-2-[2-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: 2-[[2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]phenyl]thio]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-isopropyl-2-[[2-[4-(4-pyridylmethyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H28N4O2S/c1-17(2)24-21(27)16-29-20-6-4-3-5-19(20)22(28)26-13-11-25(12-14-26)15-18-7-9-23-10-8-18/h3-10,17H,11-16H2,1-2H3,(H,24,27)