N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(2-fluorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-fluorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-2-[(2-fluorophenyl)thio]-5-nitro-benzamide Formula: C18H16FN3O4S MolecularWeight: 389.400743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3F

InChI

InChI=1S/C18H16FN3O4S/c19-14-3-1-2-4-16(14)27-15-8-7-12(22(25)26)9-13(15)18(24)20-10-17(23)21-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,20,24)(H,21,23)