2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]-N-phenethyl-acetamide Formula: C23H25N3OS2 MolecularWeight: 423.5941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N=C3SCC(=O)NCCC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N=C3SCC(=O)NCCC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H25N3OS2/c27-19(24-13-12-15-6-2-1-3-7-15)14-28-22-20-17-8-4-5-9-18(17)29-23(20)26-21(25-22)16-10-11-16/h1-3,6-7,16H,4-5,8-14H2,(H,24,27)