N-[3-cyano-6-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[3-cyano-6-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-6-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butanamide CAS Name: N-[3-cyano-6-(4-phenyl-1-piperazinyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-6-(4-phenylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[3-cyano-6-(4-phenylpiperazino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butyramide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)N3CCN(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)N3CCN(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H32N4OS/c1-3-18(4-2)24(30)27-25-22(17-26)21-11-10-20(16-23(21)31-25)29-14-12-28(13-15-29)19-8-6-5-7-9-19/h5-9,18,20H,3-4,10-16H2,1-2H3,(H,27,30)