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

Systemtic Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-tert-butylphenyl)sulfonylhydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-tert-butylphenyl)sulfonylamino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(4-tert-butylphenyl)sulfonylamino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H23N3O4S3 MolecularWeight: 441.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C18H23N3O4S3/c1-11-10-14(16(22)25-5)15(27-11)19-17(26)20-21-28(23,24)13-8-6-12(7-9-13)18(2,3)4/h6-10,21H,1-5H3,(H2,19,20,26)