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

Systemtic Name: N-(2-methoxyethyl)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-methoxyethyl)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-methoxyethyl)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methoxyethyl)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-methoxyethyl)-2-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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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)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S2/c1-16-14-19(17-8-4-3-5-9-17)28-25(27-16)33-15-21(30)29-24-22(23(31)26-12-13-32-2)18-10-6-7-11-20(18)34-24/h3-5,8-9,14H,6-7,10-13,15H2,1-2H3,(H,26,31)(H,29,30)