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

Systemtic Name: N-[1-[(4-fluoranyl-3-nitro-phenyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-(4-fluoro-3-nitro-anilino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[1-(4-fluoro-3-nitroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-(4-fluoro-3-nitroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-(4-fluoro-3-nitro-anilino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]thiophene-2-carboxamide Formula: C22H17FN4O4S MolecularWeight: 452.458183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17FN4O4S/c23-16-8-7-14(11-19(16)27(30)31)25-21(28)18(26-22(29)20-6-3-9-32-20)10-13-12-24-17-5-2-1-4-15(13)17/h1-9,11-12,18,24H,10H2,(H,25,28)(H,26,29)