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

Systemtic Name: N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(cyclopropanecarbonylamino)benzyl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide Formula: C21H19FN2O2S MolecularWeight: 382.451163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H19FN2O2S/c1-12-18-16(22)3-2-4-17(18)27-19(12)21(26)23-11-13-5-9-15(10-6-13)24-20(25)14-7-8-14/h2-6,9-10,14H,7-8,11H2,1H3,(H,23,26)(H,24,25)