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

Systemtic Name: 1-ethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide CAS Name: 1-ethyl-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Traditional Name: 1-ethyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H23N5O2S/c1-2-26-11-9-16(25-26)19(27)24-21-18(15-7-3-4-8-17(15)29-21)20(28)23-13-14-6-5-10-22-12-14/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,23,28)(H,24,27)