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

Systemtic Name: (6S)-6-methyl-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-methyl-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-methyl-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-methyl-2-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NC=CC(=N3)C

InChI

InChI=1S/C17H20N4O2S2/c1-9-3-4-11-12(7-9)25-16(14(11)15(18)23)21-13(22)8-24-17-19-6-5-10(2)20-17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,23)(H,21,22)/t9-/m0/s1