tert-butyl 4-[2-(4-chlorophenyl)ethylcarbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)ethylcarbamothioylamino]butanoate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)ethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)ethylcarbamothioylamino]butanoate Traditional Name: 4-[2-(4-chlorophenyl)ethylthiocarbamoylamino]butyric acid tert-butyl ester Formula: C17H25ClN2O2S MolecularWeight: 356.9106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NCCC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NCCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H25ClN2O2S/c1-17(2,3)22-15(21)5-4-11-19-16(23)20-12-10-13-6-8-14(18)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,19,20,23)