S-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-methoxybenzenecarbothioate

Systemtic Name: S-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-methoxybenzenecarbothioate Openeye Name: S-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-[[[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] ester Formula: C22H16FN3O4S MolecularWeight: 437.443543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)SNC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)SNC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H16FN3O4S/c1-29-17-8-5-13(6-9-17)21(27)31-26-22(28)24-16-7-10-19-18(12-16)25-20(30-19)14-3-2-4-15(23)11-14/h2-12H,1H3,(H2,24,26,28)