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

Systemtic Name: methyl 2-[[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4,5-dibromothiophene-2-carbonyl)amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4,5-dibromo-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4,5-dibromothiophene-2-carbonyl)amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(4,5-dibromothiophene-2-carbonyl)amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H13Br2N3O3S3 MolecularWeight: 527.27432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13Br2N3O3S3/c1-3-6-4-7(13(21)22-2)12(24-6)17-14(23)19-18-11(20)9-5-8(15)10(16)25-9/h4-5H,3H2,1-2H3,(H,18,20)(H2,17,19,23)