1-ethyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-[6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide CAS Name: 1-ethyl-N-[6-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Traditional Name: 1-ethyl-N-[6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-3-27-10-8-17(26-27)20(28)25-22-19(16-7-6-14(2)11-18(16)30-22)21(29)24-13-15-5-4-9-23-12-15/h4-5,8-10,12,14H,3,6-7,11,13H2,1-2H3,(H,24,29)(H,25,28)