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

Systemtic Name: S-(phenylmethyl) N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioate Openeye Name: S-benzyl N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioate CAS Name: N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioate Traditional Name: N-[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamic acid S-benzyl ester Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2O2S/c23-17-8-6-15(7-9-17)12-21-25-19-13-18(10-11-20(19)27-21)24-22(26)28-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,24,26)