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

Systemtic Name: N-[3-cyano-4-methyl-5-(4-phenylpiperazin-1-yl)thiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-4-methyl-5-(4-phenylpiperazin-1-yl)-2-thienyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-4-methyl-5-(4-phenyl-1-piperazinyl)-2-thiophenyl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-4-methyl-5-(4-phenylpiperazin-1-yl)thiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[3-cyano-4-methyl-5-(4-phenylpiperazino)-2-thienyl]-2-ethyl-butyramide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c1-4-17(5-2)20(27)24-21-19(15-23)16(3)22(28-21)26-13-11-25(12-14-26)18-9-7-6-8-10-18/h6-10,17H,4-5,11-14H2,1-3H3,(H,24,27)