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

Systemtic Name: N-[3-cyano-6-(3-phenylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-6-(3-phenylpyrrolidin-1-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butanamide CAS Name: N-[3-cyano-6-(3-phenyl-1-pyrrolidinyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-6-(3-phenylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[3-cyano-6-(3-phenylpyrrolidino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butyramide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)N3CCC(C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)N3CCC(C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H31N3OS/c1-3-17(4-2)24(29)27-25-22(15-26)21-11-10-20(14-23(21)30-25)28-13-12-19(16-28)18-8-6-5-7-9-18/h5-9,17,19-20H,3-4,10-14,16H2,1-2H3,(H,27,29)