N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(pyridin-2-ylmethylamino)ethanamide

Systemtic Name: N-[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(pyridin-2-ylmethylamino)ethanamide Openeye Name: N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-pyridylmethylamino)acetamide CAS Name: N-[3-[(4-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-pyridinylmethylamino)acetamide IUPAC Name: N-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(pyridin-2-ylmethylamino)acetamide Traditional Name: N-(3-p-toluoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyridylmethylamino)acetamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CNCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CNCC4=CC=CC=N4

InChI

InChI=1S/C24H25N3O2S/c1-16-9-11-17(12-10-16)23(29)22-19-7-2-3-8-20(19)30-24(22)27-21(28)15-25-14-18-6-4-5-13-26-18/h4-6,9-13,25H,2-3,7-8,14-15H2,1H3,(H,27,28)