propyl 4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(dipropylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-(dipropylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(dipropylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC

InChI

InChI=1S/C20H31N3O5S2/c1-4-13-23(14-5-2)30(26,27)17-9-7-16(8-10-17)21-20(29)22-18(24)11-12-19(25)28-15-6-3/h7-10H,4-6,11-15H2,1-3H3,(H2,21,22,24,29)