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

Systemtic Name: N-(phenylmethyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(2-pyrimidylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CC=N3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=CC=N3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c27-18(14-29-22-23-11-6-12-24-22)26-21-19(16-9-4-5-10-17(16)30-21)20(28)25-13-15-7-2-1-3-8-15/h1-3,6-8,11-12H,4-5,9-10,13-14H2,(H,25,28)(H,26,27)