propan-2-yl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(diethylamino)phenyl]thiocarbamoylamino]-4-(methylthio)butyric acid isopropyl ester Formula: C19H31N3O2S2 MolecularWeight: 397.59834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2S2/c1-6-22(7-2)16-10-8-15(9-11-16)20-19(25)21-17(12-13-26-5)18(23)24-14(3)4/h8-11,14,17H,6-7,12-13H2,1-5H3,(H2,20,21,25)