butyl 4-[[2-phenyl-2-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-phenyl-2-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-phenyl-2-[4-(thiophene-2-carbonylamino)phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-phenyl-2-[4-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[4-(2-thenoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C30H28N2O4S2 MolecularWeight: 544.68432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C30H28N2O4S2/c1-2-3-19-36-30(35)22-11-13-23(14-12-22)32-29(34)27(21-8-5-4-6-9-21)38-25-17-15-24(16-18-25)31-28(33)26-10-7-20-37-26/h4-18,20,27H,2-3,19H2,1H3,(H,31,33)(H,32,34)