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

Systemtic Name: N-(4-chlorophenyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-chlorophenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-chlorophenyl)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-chlorophenyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-chlorophenyl)-2-[[2-(2-pyrimidylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H19ClN4O2S2 MolecularWeight: 458.98416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CC=N3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CC=N3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S2/c22-13-6-8-14(9-7-13)25-19(28)18-15-4-1-2-5-16(15)30-20(18)26-17(27)12-29-21-23-10-3-11-24-21/h3,6-11H,1-2,4-5,12H2,(H,25,28)(H,26,27)