N-[3-cyano-4-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)thiophen-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[3-cyano-4-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)thiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-4-methyl-5-[4-(2-pyridyl)piperazin-1-yl]-2-thienyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-4-methyl-5-[4-(2-pyridinyl)-1-piperazinyl]-2-thiophenyl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-4-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)thiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[3-cyano-4-methyl-5-[4-(2-pyridyl)piperazino]-2-thienyl]-2-ethyl-butyramide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)C3=CC=CC=N3)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)C3=CC=CC=N3)C)C#N

InChI

InChI=1S/C21H27N5OS/c1-4-16(5-2)19(27)24-20-17(14-22)15(3)21(28-20)26-12-10-25(11-13-26)18-8-6-7-9-23-18/h6-9,16H,4-5,10-13H2,1-3H3,(H,24,27)