2-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(1-benzylimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1-benzylimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(1-benzylimidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CN3CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CN3CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H22N4O2S2/c22-19(27)18-15-8-4-5-9-16(15)29-20(18)24-17(26)13-28-21-23-10-11-25(21)12-14-6-2-1-3-7-14/h1-3,6-7,10-11H,4-5,8-9,12-13H2,(H2,22,27)(H,24,26)