3-phenylpropyl 5-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H29N3O6S2 MolecularWeight: 543.65496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C26H29N3O6S2/c30-24(11-4-12-25(31)35-18-5-9-20-7-2-1-3-8-20)29-26(36)28-21-13-15-23(16-14-21)37(32,33)27-19-22-10-6-17-34-22/h1-3,6-8,10,13-17,27H,4-5,9,11-12,18-19H2,(H2,28,29,30,36)