methyl 3-[2-[2-[2-(4-bromophenyl)sulfanylethanoylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-[2-(4-bromophenyl)sulfanylethanoylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-[[2-(4-bromophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[[2-(4-bromophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-[[2-[(4-bromophenyl)thio]acetyl]amino]phenyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H19BrN2O4S3 MolecularWeight: 551.49626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrN2O4S3/c1-29-22(28)21-17(10-11-30-21)25-20(27)13-32-18-5-3-2-4-16(18)24-19(26)12-31-15-8-6-14(23)7-9-15/h2-11H,12-13H2,1H3,(H,24,26)(H,25,27)