ethyl 2-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(piazthiole-5-carbonylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H18N4O3S3 MolecularWeight: 446.56622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H18N4O3S3/c1-2-26-18(25)15-11-5-3-4-6-14(11)28-17(15)21-19(27)20-16(24)10-7-8-12-13(9-10)23-29-22-12/h7-9H,2-6H2,1H3,(H2,20,21,24,27)