diethyl 5-[[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[2-[(2-bromophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[[2-[(2-bromobenzyl)thio]acetyl]amino]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24BrN3O5S3 MolecularWeight: 574.53136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)CSCC2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)CSCC2=CC=CC=C2Br

InChI

InChI=1S/C21H24BrN3O5S3/c1-4-29-19(27)16-12(3)17(20(28)30-5-2)33-18(16)23-21(31)25-24-15(26)11-32-10-13-8-6-7-9-14(13)22/h6-9H,4-5,10-11H2,1-3H3,(H,24,26)(H2,23,25,31)