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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SC(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC1=CC(=NC=N1)S[C@@H](C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C17H20N4O2S2/c1-9-7-13(20-8-19-9)24-10(2)16(23)21-17-14(15(18)22)11-5-3-4-6-12(11)25-17/h7-8,10H,3-6H2,1-2H3,(H2,18,22)(H,21,23)/t10-/m0/s1