methyl 4-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioylamino]butanoate Traditional Name: 4-[(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H15BrN4O3S MolecularWeight: 387.2522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=C(C=C2C(=C1)NC(=O)N2)Br

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=C(C=C2C(=C1)NC(=O)N2)Br

InChI

InChI=1S/C13H15BrN4O3S/c1-21-11(19)3-2-4-15-13(22)18-8-6-10-9(5-7(8)14)16-12(20)17-10/h5-6H,2-4H2,1H3,(H2,15,18,22)(H2,16,17,20)