N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyrimidylthio)acetamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S2/c25-17(13-27-21-22-11-6-12-23-21)24-20-18(15-9-4-5-10-16(15)28-20)19(26)14-7-2-1-3-8-14/h1-3,6-8,11-12H,4-5,9-10,13H2,(H,24,25)