N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[[(2R)-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[[(2R)-7-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[[(2R)-7-pyrazin-2-ylcoumaran-2-yl]methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NCC3CC4=CC=CC(=C4O3)C5=NC=CN=C5

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC[C@H]3CC4=CC=CC(=C4O3)C5=NC=CN=C5

InChI

InChI=1S/C22H21N3O2S/c26-22(18-13-28-20-7-2-1-5-16(18)20)25-11-15-10-14-4-3-6-17(21(14)27-15)19-12-23-8-9-24-19/h3-4,6,8-9,12-13,15H,1-2,5,7,10-11H2,(H,25,26)/t15-/m1/s1