methyl 2-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[(4-butyramidophenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-4-7-19(24)22-15-10-12-16(13-11-15)28-14(2)20(25)23-18-9-6-5-8-17(18)21(26)27-3/h5-6,8-14H,4,7H2,1-3H3,(H,22,24)(H,23,25)