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

Systemtic Name: N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiadiazole-4-carboxamide CAS Name: N-[3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-thiadiazolecarboxamide IUPAC Name: N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiadiazole-4-carboxamide Traditional Name: N-[3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiadiazole-4-carboxamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CSN=N3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CSN=N3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2S2/c25-18(15-12-27-24-23-15)22-20-17(14-8-4-5-9-16(14)28-20)19(26)21-11-10-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,21,26)(H,22,25)