ethyl 2-(naphthalen-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(naphthalen-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(naphthalene-2-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[2-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(naphthalene-2-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-naphthoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H17N3O3S2/c1-2-28-20(27)16-9-10-17-18(12-16)30-22(23-17)25-21(29)24-19(26)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3,(H2,23,24,25,26,29)