3-(7-bromanyl-1,3-benzothiazol-2-yl)-1-(2-oxidanylideneethyl)-1-prop-2-ynyl-urea

Systemtic Name: 3-(7-bromanyl-1,3-benzothiazol-2-yl)-1-(2-oxidanylideneethyl)-1-prop-2-ynyl-urea Openeye Name: 3-(7-bromo-1,3-benzothiazol-2-yl)-1-(2-oxoethyl)-1-prop-2-ynyl-urea CAS Name: 3-(7-bromo-1,3-benzothiazol-2-yl)-1-(2-oxoethyl)-1-prop-2-ynylurea IUPAC Name: 3-(7-bromo-1,3-benzothiazol-2-yl)-1-(2-oxoethyl)-1-prop-2-ynylurea Traditional Name: 3-(7-bromo-1,3-benzothiazol-2-yl)-1-(2-ketoethyl)-1-propargyl-urea Formula: C13H10BrN3O2S MolecularWeight: 352.2064

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC=O)C(=O)NC1=NC2=C(S1)C(=CC=C2)Br

Isomeric SMILES

C#CCN(CC=O)C(=O)NC1=NC2=C(S1)C(=CC=C2)Br

InChI

InChI=1S/C13H10BrN3O2S/c1-2-6-17(7-8-18)13(19)16-12-15-10-5-3-4-9(14)11(10)20-12/h1,3-5,8H,6-7H2,(H,15,16,19)