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

Systemtic Name: tert-butyl 4-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(4-bromo-3-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-bromo-3-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-bromo-3-methyl-phenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C16H23BrN2O2S MolecularWeight: 387.33502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O2S/c1-11-10-12(7-8-13(11)17)19-15(22)18-9-5-6-14(20)21-16(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H2,18,19,22)