2-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C29H28N4O3S2 MolecularWeight: 544.68762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C=C(N=C3SCCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C29H28N4O3S2/c30-27(36)26-21-13-7-8-14-23(21)38-28(26)32-24(34)18-33-25(35)17-22(20-11-5-2-6-12-20)31-29(33)37-16-15-19-9-3-1-4-10-19/h1-6,9-12,17H,7-8,13-16,18H2,(H2,30,36)(H,32,34)