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

Systemtic Name: S-(phenylmethyl) N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioate Openeye Name: S-benzyl N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioate CAS Name: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioate Traditional Name: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamic acid S-benzyl ester Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)SCC4=CC=CC=C4

InChI

InChI=1S/C23H20N2O2S/c1-2-16-8-10-18(11-9-16)22-25-20-14-19(12-13-21(20)27-22)24-23(26)28-15-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3,(H,24,26)