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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S2/c1-25-15(13-7-3-2-4-8-13)11-23-21(25)28-12-17(26)24-20-18(19(22)27)14-9-5-6-10-16(14)29-20/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,22,27)(H,24,26)