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

Systemtic Name: 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S2/c1-26-12-11-23-22(26)29-14-18(27)25-21-19(16-9-5-6-10-17(16)30-21)20(28)24-13-15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,24,28)(H,25,27)