N-(2-methoxyethyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-methoxyethyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-methoxyethyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-methoxyethyl)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methoxyethyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-methoxyethyl)-2-[[2-(2-pyrimidylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H22N4O3S2/c1-25-10-9-19-16(24)15-12-5-2-3-6-13(12)27-17(15)22-14(23)11-26-18-20-7-4-8-21-18/h4,7-8H,2-3,5-6,9-11H2,1H3,(H,19,24)(H,22,23)