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

Systemtic Name: 2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c1-14-11-12-23-22(24-14)29-13-18(27)26-21-19(16-9-5-6-10-17(16)30-21)20(28)25-15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H,25,28)(H,26,27)