tert-butyl 4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(4-bromanyl-3-chloranyl-phenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(4-bromo-3-chloro-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-bromo-3-chlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-bromo-3-chloro-phenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C15H20BrClN2O2S MolecularWeight: 407.7535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC(=C(C=C1)Br)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC1=CC(=C(C=C1)Br)Cl

InChI

InChI=1S/C15H20BrClN2O2S/c1-15(2,3)21-13(20)5-4-8-18-14(22)19-10-6-7-11(16)12(17)9-10/h6-7,9H,4-5,8H2,1-3H3,(H2,18,19,22)