ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(4-bromo-3-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-3-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-bromo-3-methyl-phenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C14H19BrN2O2S MolecularWeight: 359.28186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C14H19BrN2O2S/c1-3-19-13(18)5-4-8-16-14(20)17-11-6-7-12(15)10(2)9-11/h6-7,9H,3-5,8H2,1-2H3,(H2,16,17,20)