S-(1,3-benzoxazol-2-yl) N-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2,6-diethylphenyl)carbamothioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) N-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2,6-diethylphenyl)carbamothioate Openeye Name: S-(1,3-benzoxazol-2-yl) N-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2,6-diethylphenyl)carbamothioate CAS Name: N-[(1,3-benzoxazol-2-ylthio)methyl]-N-(2,6-diethylphenyl)carbamothioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) N-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2,6-diethylphenyl)carbamothioate Traditional Name: N-[(1,3-benzoxazol-2-ylthio)methyl]-N-(2,6-diethylphenyl)thiocarbamic acid S-(1,3-benzoxazol-2-yl) ester Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N(CSC2=NC3=CC=CC=C3O2)C(=O)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N(CSC2=NC3=CC=CC=C3O2)C(=O)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H23N3O3S2/c1-3-17-10-9-11-18(4-2)23(17)29(16-33-24-27-19-12-5-7-14-21(19)31-24)26(30)34-25-28-20-13-6-8-15-22(20)32-25/h5-15H,3-4,16H2,1-2H3