1-(2-methyl-3-prop-2-ynyl-2H-1,3-benzothiazol-6-yl)-3-phenylsulfanyl-urea iodide

Systemtic Name: 1-(2-methyl-3-prop-2-ynyl-2H-1,3-benzothiazol-6-yl)-3-phenylsulfanyl-urea iodide Openeye Name: 1-(2-methyl-3-prop-2-ynyl-2H-1,3-benzothiazol-6-yl)-3-phenylsulfanyl-urea iodide CAS Name: 1-(2-methyl-3-prop-2-ynyl-2H-1,3-benzothiazol-6-yl)-3-(phenylthio)urea iodide IUPAC Name: 1-(2-methyl-3-prop-2-ynyl-2H-1,3-benzothiazol-6-yl)-3-phenylsulfanylurea iodide Traditional Name: 1-(2-methyl-3-propargyl-2H-1,3-benzothiazol-6-yl)-3-(phenylthio)urea iodide Formula: C18H17IN3OS2- MolecularWeight: 482.38155

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=C(C=C2)NC(=O)NSC3=CC=CC=C3)CC#C.[I-]

Isomeric SMILES

CC1N(C2=C(S1)C=C(C=C2)NC(=O)NSC3=CC=CC=C3)CC#C.[I-]

InChI

InChI=1S/C18H17N3OS2.HI/c1-3-11-21-13(2)23-17-12-14(9-10-16(17)21)19-18(22)20-24-15-7-5-4-6-8-15;/h1,4-10,12-13H,11H2,2H3,(H2,19,20,22);1H/p-1