methyl 2-[[(5-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(5-bromanylthiophen-2-yl)carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-bromo-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-bromothiophene-2-carbonyl)amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(5-bromothiophene-2-carbonyl)amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H14BrN3O3S3 MolecularWeight: 448.37826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O3S3/c1-3-7-6-8(13(20)21-2)12(23-7)16-14(22)18-17-11(19)9-4-5-10(15)24-9/h4-6H,3H2,1-2H3,(H,17,19)(H2,16,18,22)