N-(4-propan-2-ylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-(4-propan-2-ylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(4-isopropylsulfanylphenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide CAS Name: N-[4-(propan-2-ylthio)phenyl]-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-propan-2-ylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-[4-(isopropylthio)phenyl]-3-[4-(2-pyridyl)piperazino]propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H28N4OS/c1-17(2)27-19-8-6-18(7-9-19)23-21(26)10-12-24-13-15-25(16-14-24)20-5-3-4-11-22-20/h3-9,11,17H,10,12-16H2,1-2H3,(H,23,26)