ethyl 2-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[2-(4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-methylphenoxy)acetyl]thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)C

InChI

InChI=1S/C20H19N3O4S2/c1-3-26-18(25)13-6-9-15-16(10-13)29-20(21-15)23-19(28)22-17(24)11-27-14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H2,21,22,23,24,28)