N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-4-fluoranyl-N-methyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-4-fluoranyl-N-methyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-4-fluoro-N-methyl-3-(phenoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]-4-fluoro-N-methyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-4-fluoro-N-methyl-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(cyclopropylcarbamoyl)benzyl]-4-fluoro-N-methyl-3-(phenoxymethyl)benzothiophene-2-carboxamide Formula: C28H25FN2O3S MolecularWeight: 488.573103

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)C(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)C(=O)C3=C(C4=C(C=CC=C4S3)F)COC5=CC=CC=C5

InChI

InChI=1S/C28H25FN2O3S/c1-31(16-18-10-12-19(13-11-18)27(32)30-20-14-15-20)28(33)26-22(17-34-21-6-3-2-4-7-21)25-23(29)8-5-9-24(25)35-26/h2-13,20H,14-17H2,1H3,(H,30,32)