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

Systemtic Name: 5-phenyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-phenyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]isoxazole-3-carboxamide CAS Name: N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: 5-phenyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2-oxazole-3-carboxamide Traditional Name: 5-phenyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]isoxazole-3-carboxamide Formula: C25H22N4O3S MolecularWeight: 458.53218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-23(19-13-20(32-29-19)17-8-2-1-3-9-17)28-25-22(18-10-4-5-11-21(18)33-25)24(31)27-15-16-7-6-12-26-14-16/h1-3,6-9,12-14H,4-5,10-11,15H2,(H,27,31)(H,28,30)