butyl 2-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=CC=C3C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=CC=C3C

InChI

InChI=1S/C22H23N3O4S2/c1-3-4-11-28-20(27)15-9-10-16-18(12-15)31-22(23-16)25-21(30)24-19(26)13-29-17-8-6-5-7-14(17)2/h5-10,12H,3-4,11,13H2,1-2H3,(H2,23,24,25,26,30)