methyl 2-[[(4-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-bromothiophene-2-carbonyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-bromo-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-bromothiophene-2-carbonyl)amino]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(4-bromothiophene-2-carbonyl)amino]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C15H14BrN3O3S3 MolecularWeight: 460.38896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3=CC(=CS3)Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C15H14BrN3O3S3/c1-22-14(21)11-8-3-2-4-9(8)25-13(11)17-15(23)19-18-12(20)10-5-7(16)6-24-10/h5-6H,2-4H2,1H3,(H,18,20)(H2,17,19,23)