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

Systemtic Name: 2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]-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)C2=CC=CC=C2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

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