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

Systemtic Name: S-[[4-(2-azanylpyridin-4-yl)oxy-2-methoxy-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[4-[(2-amino-4-pyridyl)oxy]-2-methoxy-phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[4-[(2-amino-4-pyridinyl)oxy]-2-methoxyanilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(2-aminopyridin-4-yl)oxy-2-methoxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[4-[(2-amino-4-pyridyl)oxy]-2-methoxy-phenyl]carbamoylamino] ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OC2=CC(=NC=C2)N)NC(=O)NSC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)OC2=CC(=NC=C2)N)NC(=O)NSC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S/c1-28-18-12-15(29-16-9-10-23-19(22)13-16)7-8-17(18)24-21(27)25-30-20(26)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H2,22,23)(H2,24,25,27)