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

Systemtic Name: S-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate Openeye Name: S-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[[[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] ester Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=CC=C1C(=O)SNC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F

InChI

InChI=1S/C22H16FN3O3S/c1-13-6-2-3-7-15(13)21(27)30-26-22(28)24-14-10-11-19-18(12-14)25-20(29-19)16-8-4-5-9-17(16)23/h2-12H,1H3,(H2,24,26,28)