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

Systemtic Name: N-[3-cyano-6-(2,3-dihydro-1H-inden-1-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[3-cyano-6-(indan-1-ylmethylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butanamide CAS Name: N-[3-cyano-6-(2,3-dihydro-1H-inden-1-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide IUPAC Name: N-[3-cyano-6-(2,3-dihydro-1H-inden-1-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[3-cyano-6-(indan-1-ylmethylamino)-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)NCC3CCC4=CC=CC=C34)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)NCC3CCC4=CC=CC=C34)C#N

InChI

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