methyl 2-[[(4-bromanyl-5-ethyl-thiophen-2-yl)carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-bromanyl-5-ethyl-thiophen-2-yl)carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4-bromo-5-ethyl-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-bromo-5-ethylthiophene-2-carbonyl)amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(4-bromo-5-ethyl-thiophene-2-carbonyl)amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H18BrN3O3S3 MolecularWeight: 476.43142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=C(S2)CC)Br)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=C(S2)CC)Br)C(=O)OC

InChI

InChI=1S/C16H18BrN3O3S3/c1-4-8-6-9(15(22)23-3)14(25-8)18-16(24)20-19-13(21)12-7-10(17)11(5-2)26-12/h6-7H,4-5H2,1-3H3,(H,19,21)(H2,18,20,24)