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

Systemtic Name: 4-ethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-ethyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiadiazole-5-carboxamide CAS Name: 4-ethyl-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-thiadiazolecarboxamide IUPAC Name: 4-ethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiadiazole-5-carboxamide Traditional Name: 4-ethyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiadiazole-5-carboxamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCC1=C(SN=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H21N5O2S2/c1-2-14-17(29-25-24-14)19(27)23-20-16(13-7-3-4-8-15(13)28-20)18(26)22-11-12-6-5-9-21-10-12/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,22,26)(H,23,27)