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

Systemtic Name: 2-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoylamino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CSC4=NC=CN4C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CSC4=NC=CN4C5CC5

InChI

InChI=1S/C24H26N4O3S2/c1-31-17-10-6-15(7-11-17)26-22(30)21-18-4-2-3-5-19(18)33-23(21)27-20(29)14-32-24-25-12-13-28(24)16-8-9-16/h6-7,10-13,16H,2-5,8-9,14H2,1H3,(H,26,30)(H,27,29)