S-(phenylmethyl) N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioate Openeye Name: S-benzyl N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioate CAS Name: N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioate Traditional Name: N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamic acid S-benzyl ester Formula: C21H15FN2O2S MolecularWeight: 378.419403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15FN2O2S/c22-16-8-6-15(7-9-16)20-24-18-12-17(10-11-19(18)26-20)23-21(25)27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,25)