4-[(6-bromanyl-1,3-benzothiazol-2-yl)carbamoylamino]butanoic acid

Systemtic Name: 4-[(6-bromanyl-1,3-benzothiazol-2-yl)carbamoylamino]butanoic acid Openeye Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]butanoic acid CAS Name: 4-[[[(6-bromo-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]butanoic acid Traditional Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]butyric acid Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H12BrN3O3S/c13-7-3-4-8-9(6-7)20-12(15-8)16-11(19)14-5-1-2-10(17)18/h3-4,6H,1-2,5H2,(H,17,18)(H2,14,15,16,19)