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

Systemtic Name: 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O2S2/c1-3-18(31-20-13-17(26-14(2)27-20)15-9-5-4-6-10-15)23(30)28-24-21(22(25)29)16-11-7-8-12-19(16)32-24/h4-6,9-10,13,18H,3,7-8,11-12H2,1-2H3,(H2,25,29)(H,28,30)