N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(cyclopropanecarbonylamino)benzyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C22H21FN2O3S/c1-28-12-16-19-17(23)3-2-4-18(19)29-20(16)22(27)24-11-13-5-9-15(10-6-13)25-21(26)14-7-8-14/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,24,27)(H,25,26)