methyl 4-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-bromo-2-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-bromo-2-methylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-2-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-bromo-2-methyl-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H17BrN2O2S MolecularWeight: 345.25528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C13H17BrN2O2S/c1-9-8-10(14)5-6-11(9)16-13(19)15-7-3-4-12(17)18-2/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,19)