N-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-(4-bromo-2-fluoro-anilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[1-(4-bromo-2-fluoroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-(4-bromo-2-fluoroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-(4-bromo-2-fluoro-anilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C22H17BrFN3O2S MolecularWeight: 486.356683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=C(C=C(C=C3)Br)F)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=C(C=C(C=C3)Br)F)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17BrFN3O2S/c23-14-7-8-18(16(24)11-14)26-21(28)19(27-22(29)20-6-3-9-30-20)10-13-12-25-17-5-2-1-4-15(13)17/h1-9,11-12,19,25H,10H2,(H,26,28)(H,27,29)