butyl 4-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]butyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(2-thenoylamino)phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C26H28N2O4S2/c1-3-5-15-32-26(31)18-11-13-19(14-12-18)27-24(29)22(4-2)34-21-9-6-8-20(17-21)28-25(30)23-10-7-16-33-23/h6-14,16-17,22H,3-5,15H2,1-2H3,(H,27,29)(H,28,30)