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

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-tert-butylphenyl)sulfonylhydrazo]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonylamino]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H27N3O4S3 MolecularWeight: 469.64108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C20H27N3O4S3/c1-7-15-12(2)29-17(16(15)18(24)27-6)21-19(28)22-23-30(25,26)14-10-8-13(9-11-14)20(3,4)5/h8-11,23H,7H2,1-6H3,(H2,21,22,28)