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

Systemtic Name: 2-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=C(C(=O)N3)C4=CC=CC=C4)O)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=C(C(=O)N3)C4=CC=CC=C4)O)C(=O)N

InChI

InChI=1S/C21H20N4O4S2/c22-17(27)16-12-8-4-5-9-13(12)31-20(16)23-14(26)10-30-21-24-18(28)15(19(29)25-21)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,22,27)(H,23,26)(H2,24,25,28,29)