2-(4-chlorophenyl)sulfanyl-N-[2-oxidanyl-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[2-oxidanyl-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[2-hydroxy-3-[4-(2-isopropoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-hydroxy-3-[4-(2-isopropoxyphenyl)piperazino]propyl]nicotinamide Formula: C28H33ClN4O3S MolecularWeight: 541.10462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C28H33ClN4O3S/c1-20(2)36-26-8-4-3-7-25(26)33-16-14-32(15-17-33)19-22(34)18-31-27(35)24-6-5-13-30-28(24)37-23-11-9-21(29)10-12-23/h3-13,20,22,34H,14-19H2,1-2H3,(H,31,35)