methyl 3-[2-[2-[2-(cyclohexylamino)ethanoylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-[2-(cyclohexylamino)ethanoylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-[[2-(cyclohexylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-[[2-(cyclohexylamino)-1-oxoethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[[2-(cyclohexylamino)acetyl]amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-[[2-(cyclohexylamino)acetyl]amino]phenyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CNC3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=CC=CC=C2NC(=O)CNC3CCCCC3

InChI

InChI=1S/C22H27N3O4S2/c1-29-22(28)21-17(11-12-30-21)25-20(27)14-31-18-10-6-5-9-16(18)24-19(26)13-23-15-7-3-2-4-8-15/h5-6,9-12,15,23H,2-4,7-8,13-14H2,1H3,(H,24,26)(H,25,27)