methyl 4-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]butanoate Traditional Name: 4-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H29N3O4S2 MolecularWeight: 415.57056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@H](C)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C18H29N3O4S2/c1-5-21(6-2)27(23,24)16-11-9-15(10-12-16)14(3)20-18(26)19-13-7-8-17(22)25-4/h9-12,14H,5-8,13H2,1-4H3,(H2,19,20,26)/t14-/m0/s1