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

Systemtic Name: S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate Openeye Name: S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[[[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] ester Formula: C21H13FN4O5S MolecularWeight: 452.415123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)NSC(=O)C4=CC=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H13FN4O5S/c22-14-5-1-12(2-6-14)19-24-17-11-15(7-10-18(17)31-19)23-21(28)25-32-20(27)13-3-8-16(9-4-13)26(29)30/h1-11H,(H2,23,25,28)