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

Systemtic Name: S-(phenylmethyl) N-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]carbamothioate Openeye Name: S-benzyl N-(2-benzyl-1,3-benzoxazol-5-yl)carbamothioate CAS Name: N-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-(2-benzyl-1,3-benzoxazol-5-yl)carbamothioate Traditional Name: N-(2-benzyl-1,3-benzoxazol-5-yl)thiocarbamic acid S-benzyl ester Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)NC(=O)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)NC(=O)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S/c25-22(27-15-17-9-5-2-6-10-17)23-18-11-12-20-19(14-18)24-21(26-20)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2,(H,23,25)