S-(1,3-benzoxazol-2-yl) N-[5-(1,3-benzoxazol-2-ylsulfanylcarbonylamino)-2,6-dimethyl-pyridin-3-yl]carbamothioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) N-[5-(1,3-benzoxazol-2-ylsulfanylcarbonylamino)-2,6-dimethyl-pyridin-3-yl]carbamothioate Openeye Name: S-(1,3-benzoxazol-2-yl) N-[5-(1,3-benzoxazol-2-ylsulfanylcarbonylamino)-2,6-dimethyl-3-pyridyl]carbamothioate CAS Name: N-[5-[[(1,3-benzoxazol-2-ylthio)-oxomethyl]amino]-2,6-dimethyl-3-pyridinyl]carbamothioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) N-[5-(1,3-benzoxazol-2-ylsulfanylcarbonylamino)-2,6-dimethylpyridin-3-yl]carbamothioate Traditional Name: N-[5-[(1,3-benzoxazol-2-ylthio)carbonylamino]-2,6-dimethyl-3-pyridyl]thiocarbamic acid S-(1,3-benzoxazol-2-yl) ester Formula: C23H17N5O4S2 MolecularWeight: 491.54218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)C)NC(=O)SC2=NC3=CC=CC=C3O2)NC(=O)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=C(C(=N1)C)NC(=O)SC2=NC3=CC=CC=C3O2)NC(=O)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H17N5O4S2/c1-12-16(25-20(29)33-22-27-14-7-3-5-9-18(14)31-22)11-17(13(2)24-12)26-21(30)34-23-28-15-8-4-6-10-19(15)32-23/h3-11H,1-2H3,(H,25,29)(H,26,30)