butyl 3-[[(5-bromanyl-1,3,4-thiadiazol-2-yl)-methyl-carbamoyl]amino]benzoate

Systemtic Name: butyl 3-[[(5-bromanyl-1,3,4-thiadiazol-2-yl)-methyl-carbamoyl]amino]benzoate Openeye Name: butyl 3-[[(5-bromo-1,3,4-thiadiazol-2-yl)-methyl-carbamoyl]amino]benzoate CAS Name: 3-[[[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(5-bromo-1,3,4-thiadiazol-2-yl)-methylcarbamoyl]amino]benzoate Traditional Name: 3-[[(5-bromo-1,3,4-thiadiazol-2-yl)-methyl-carbamoyl]amino]benzoic acid butyl ester Formula: C15H17BrN4O3S MolecularWeight: 413.28948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)N(C)C2=NN=C(S2)Br

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)N(C)C2=NN=C(S2)Br

InChI

InChI=1S/C15H17BrN4O3S/c1-3-4-8-23-12(21)10-6-5-7-11(9-10)17-14(22)20(2)15-19-18-13(16)24-15/h5-7,9H,3-4,8H2,1-2H3,(H,17,22)