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

Systemtic Name: methyl 2-[[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4,5-dibromothiophene-2-carbonyl)amino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4,5-dibromo-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4,5-dibromothiophene-2-carbonyl)amino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(4,5-dibromothiophene-2-carbonyl)amino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H11Br2N3O3S3 MolecularWeight: 513.24774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=C(S2)Br)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=C(S2)Br)Br)C(=O)OC

InChI

InChI=1S/C13H11Br2N3O3S3/c1-5-3-6(12(20)21-2)11(23-5)16-13(22)18-17-10(19)8-4-7(14)9(15)24-8/h3-4H,1-2H3,(H,17,19)(H2,16,18,22)