methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-tert-butylphenyl)sulfonylhydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonylamino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H25N3O4S3 MolecularWeight: 455.6145

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C19H25N3O4S3/c1-6-13-11-15(17(23)26-5)16(28-13)20-18(27)21-22-29(24,25)14-9-7-12(8-10-14)19(2,3)4/h7-11,22H,6H2,1-5H3,(H2,20,21,27)