N-[5-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[5-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[5-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-2-methoxy-phenyl]-3-fluoro-benzamide CAS Name: N-[5-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-2-methoxyphenyl]-3-fluorobenzamide IUPAC Name: N-[5-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-2-methoxyphenyl]-3-fluorobenzamide Traditional Name: N-[5-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-2-methoxy-phenyl]-3-fluoro-benzamide Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCSCC(=O)N)NC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCSCC(=O)N)NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C19H20FN3O4S/c1-27-16-6-5-14(22-18(25)7-8-28-11-17(21)24)10-15(16)23-19(26)12-3-2-4-13(20)9-12/h2-6,9-10H,7-8,11H2,1H3,(H2,21,24)(H,22,25)(H,23,26)