S-[[4-(2-azanylpyridin-4-yl)oxy-3-fluoranyl-phenyl]carbamoylamino] 2-phenylethanethioate

Systemtic Name: S-[[4-(2-azanylpyridin-4-yl)oxy-3-fluoranyl-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[4-[(2-amino-4-pyridyl)oxy]-3-fluoro-phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[4-[(2-amino-4-pyridinyl)oxy]-3-fluoroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(2-aminopyridin-4-yl)oxy-3-fluorophenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[4-[(2-amino-4-pyridyl)oxy]-3-fluoro-phenyl]carbamoylamino] ester Formula: C20H17FN4O3S MolecularWeight: 412.437383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SNC(=O)NC2=CC(=C(C=C2)OC3=CC(=NC=C3)N)F

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SNC(=O)NC2=CC(=C(C=C2)OC3=CC(=NC=C3)N)F

InChI

InChI=1S/C20H17FN4O3S/c21-16-11-14(6-7-17(16)28-15-8-9-23-18(22)12-15)24-20(27)25-29-19(26)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,22,23)(H2,24,25,27)